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Dataset #458

[C:1]1([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:6]=[CH:5][C:4]([N:7]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[CH2:14][C:13]3[CH:12]=[C:11]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)[CH:10]=[CH:9][C:8]2=3)=[CH:3][CH:2]=1
Reaction #1994259
Yield 78.4%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH:6]=[CH:5][C:4]([N:7]2[C:8]3[C:13](=[CH:12][C:11]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)=[CH:10][CH:9]=3)[CH2:14][C:15]3[CH:16]=[C:17]([Br:33])[CH:18]=[CH:19][C:20]2=3)=[CH:3][CH:2]=1
Reaction #1994260
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH:6]=[CH:5][C:4]([N:7]([C:20]2[CH:25]=[CH:24][C:23]([B:42]3[O:46][C:45]([CH3:48])([CH3:47])[C:44]([CH3:50])([CH3:49])[O:43]3)=[CH:22][CH:21]=2)[C:8]2[CH:13]=[CH:12][C:11]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[CH:10][CH:9]=2)=[CH:3][CH:2]=1
Reaction #1994261
Yield 33.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:17]1([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:18]=[CH:19][C:20]([N:40]([C:41]2[CH:46]=[CH:45][C:44]([C:47]3[CH:52]=[CH:51][C:50]4[N:7]([C:8]5[CH:9]=[CH:10][C:11]([C:8]6[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=6)=[CH:12][CH:13]=5)[C:20]5[C:15](=[CH:16][C:17]([C:21]6[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=6)=[CH:18][CH:19]=5)[CH2:14][C:49]=4[CH:48]=3)=[CH:43][CH:42]=2)[C:37]2[CH:36]=[CH:35][C:34]([C:68]3[CH:69]=[CH:70][CH:71]=[CH:72][CH:73]=3)=[CH:39][CH:38]=2)=[CH:15][CH:16]=1
Reaction #1994262
Yield 65.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:25]12([C:35]([O:8][CH:3]([C:4]([F:6])([F:5])[F:7])[C:2]([F:1])([F:13])[S:9]([O-:12])(=[O:10])=[O:11])=[O:36])[CH2:32][CH:31]3[CH2:30][CH:29]([CH2:28][CH:27]([CH2:33]3)[CH2:26]1)[CH2:34]2
Reaction #1994263
DOI: 10.6084/m9.figshare.5104873.v1
[F:24][C:23]([F:26])([F:25])[CH2:22][O:11][C:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1
Reaction #1994264
Yield 78.7%DOI: 10.6084/m9.figshare.5104873.v1
[C:30]12([C:40]([O:42][CH:43]([C:51]([F:54])([F:52])[F:53])[C:44]([F:49])([F:50])[S:45]([O-:48])(=[O:46])=[O:47])=[O:41])[CH2:31][CH:32]3[CH2:38][CH:36]([CH2:35][CH:34]([CH2:33]3)[CH2:39]1)[CH2:37]2
Reaction #1994265
Yield 78.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:55][C:31]([F:30])([S:51]([O-:54])(=[O:52])=[O:53])[CH:32]([O:37][C:38]([C:40]12[CH2:49][CH:44]3[CH2:45][CH:46]([CH2:48][CH:42]([C:43]3=[O:50])[CH2:41]1)[CH2:47]2)=[O:39])[C:33]([F:34])([F:36])[F:35]
Reaction #1994266
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:30]([O:38][CH:39]([C:47]([F:49])([F:50])[F:48])[C:40]([F:45])([F:46])[S:41]([O-:44])(=[O:43])=[O:42])(=[O:37])[C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1
Reaction #1994267
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:70][C:31]([F:30])([S:66]([O-:69])(=[O:67])=[O:68])[CH:32]([O:37][C:38](=[O:65])[CH2:39][CH2:40][C@H:41]([C@@H:43]1[C@:60]2([CH3:61])[C@H:46]([C@H:47]3[C@H:57]([CH2:58][C:59]2=[O:62])[C@:55]2([CH3:56])[CH:50]([CH2:51][C:52](=[O:63])[CH2:53][CH2:54]2)[CH2:49][C:48]3=[O:64])[CH2:45][CH2:44]1)[CH3:42])[C:33]([F:34])([F:36])[F:35]
Reaction #1994268
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:8]([O:10][CH3:18])(=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH2:1][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]
Reaction #1994269
DOI: 10.6084/m9.figshare.5104873.v1
[F:25][C:26]([F:34])([F:33])[C:27]([NH:29][CH2:30][C:31]#[C:32][C:2]1[C:3](=[O:17])[NH:4][C:5](=[O:16])[N:6]([CH:15]=1)[C@@H:7]1[O:14][C@H:11]([CH2:12][OH:13])[C@@H:9]([OH:10])[CH2:8]1)=[O:28]
Reaction #1994270
Yield 71.1%DOI: 10.6084/m9.figshare.5104873.v1
[Si:27]([O:20][CH2:19][C@H:18]1[O:21][C@@H:14]([N:13]2[CH:22]=[C:9]([C:8]#[C:7][CH2:6][NH:5][C:3](=[O:4])[C:2]([F:25])([F:1])[F:26])[C:10](=[O:24])[NH:11][C:12]2=[O:23])[CH2:15][C@@H:16]1[OH:17])([C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:29])[CH3:28]
Reaction #1994271
Yield 83.0%DOI: 10.6084/m9.figshare.5104873.v1
[Si:1]([O:8][CH2:9][C@H:10]1[O:14][C@@H:13]([N:15]2[CH:22]=[C:21]([C:23]#[C:24][CH2:25][NH:26][C:27](=[O:32])[C:28]([F:30])([F:31])[F:29])[C:19](=[O:20])[NH:18][C:16]2=[O:17])[CH2:12][C@@H:11]1[O:33][CH2:45][S:46][CH3:48])([C:4]([CH3:7])([CH3:5])[CH3:6])([CH3:3])[CH3:2]
Reaction #1994272
Yield 89.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:50]([CH2:34][O:33][C@@H:11]1[C@@H:10]([CH2:9][OH:8])[O:14][C@@H:13]([N:15]2[CH:22]=[C:21]([C:23]#[C:24][CH2:25][NH:26][C:27](=[O:32])[C:28]([F:31])([F:30])[F:29])[C:19](=[O:20])[NH:18][C:16]2=[O:17])[CH2:12]1)=[N+:51]=[N-:52]
Reaction #1994273
Yield 37.0%DOI: 10.6084/m9.figshare.5104873.v1
[O-:13][P:12]([O:15][P:16]([OH:19])([OH:18])=[O:17])(=[O:11])[O-:14]
Reaction #1994274
DOI: 10.6084/m9.figshare.5104873.v1
[F:25][C:26]([F:34])([F:33])[C:27]([NH:29][CH2:30][C:31]#[C:32][C:2]1[C:3]([NH2:17])=[N:4][C:5](=[O:16])[N:6]([CH:15]=1)[C@@H:7]1[O:14][C@H:11]([CH2:12][OH:13])[C@@H:9]([OH:10])[CH2:8]1)=[O:28]
Reaction #1994275
DOI: 10.6084/m9.figshare.5104873.v1
[Si:36]([O:20][CH2:19][C@H:18]1[O:21][C@@H:14]([N:13]2[CH:22]=[C:9]([C:8]#[C:7][CH2:6][NH:5][C:3](=[O:4])[C:2]([F:25])([F:1])[F:26])[C:10]([NH2:24])=[N:11][C:12]2=[O:23])[CH2:15][C@@H:16]1[OH:17])([C:33]([CH3:35])([CH3:34])[CH3:32])([CH3:38])[CH3:37]
Reaction #1994276
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:39]([NH:20][C:19]1[C:21]([C:23]#[C:24][CH2:25][NH:26][C:27](=[O:32])[C:28]([F:30])([F:31])[F:29])=[CH:22][N:15]([C@@H:13]2[O:14][C@H:10]([CH2:9][O:8][Si:1]([C:4]([CH3:7])([CH3:5])[CH3:6])([CH3:3])[CH3:2])[C@@H:11]([OH:33])[CH2:12]2)[C:16](=[O:17])[N:18]=1)(=[O:46])[C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1
Reaction #1994277
Yield 74.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([NH:9][C:10]1[C:30]([C:31]#[C:32][CH2:33][NH:34][C:35](=[O:40])[C:36]([F:37])([F:38])[F:39])=[CH:29][N:13]([C@@H:14]2[O:28][C@H:18]([CH2:19][O:20][Si:21]([C:24]([CH3:27])([CH3:26])[CH3:25])([CH3:22])[CH3:23])[C@@H:16]([O:17][CH2:58][S:59][CH3:61])[CH2:15]2)[C:12](=[O:41])[N:11]=1)(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #1994278
Yield 50.0%DOI: 10.6084/m9.figshare.5104873.v1
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