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Dataset #370

[NH4+:8]
Reaction #1702019
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]1[CH:3]2[CH:4]3[CH:5]=[CH:6][CH:7]([CH:8]2[CH:10]=[CH:2]1)[CH2:9]3
Reaction #1702020
DOI: 10.6084/m9.figshare.5104873.v1
[C:8]12([C:5]3[CH:6]=[CH:7][C:2]([CH:28]=[O:29])=[C:3]([SiH:18]([CH3:20])[CH3:19])[CH:4]=3)[CH2:16][CH:12]([C:13]1([CH3:15])[CH3:14])[CH2:11][CH2:10][CH:9]2[CH3:17]
Reaction #1702021
DOI: 10.6084/m9.figshare.5104873.v1
[C:8]12([C:5]3[CH:6]=[CH:7][C:2]([CH:28]=[O:29])=[C:3]([SiH:18]([CH3:20])[CH3:19])[CH:4]=3)[CH2:16][CH:12]([C:13]1([CH3:15])[CH3:14])[CH2:11][CH2:10][CH:9]2[CH3:17]
Reaction #1702021
Yield 96.6%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]([F:5])=[CH:37][CH:34]1[CH2:35][CH2:36][CH:31]([CH:28]2[CH2:29][CH2:30][CH:25](/[CH:22]=[CH:23]/[CH3:24])[CH2:26][CH2:27]2)[CH2:32][CH2:33]1
Reaction #1702022
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]([F:5])=[CH:37][CH:34]1[CH2:35][CH2:36][CH:31]([CH:28]2[CH2:29][CH2:30][CH:25](/[CH:22]=[CH:23]/[CH3:24])[CH2:26][CH2:27]2)[CH2:32][CH2:33]1
Reaction #1702022
DOI: 10.6084/m9.figshare.5104873.v1
[F:1]/[CH:2]=[CH:3]/[CH:4]1[CH2:9][CH2:8][CH:7]([CH:10]2[CH2:15][CH2:14][CH:13](/[CH:16]=[CH:17]/[CH3:18])[CH2:12][CH2:11]2)[CH2:6][CH2:5]1
Reaction #1702023
DOI: 10.6084/m9.figshare.5104873.v1
[C:22]1(=[O:21])[N:13]([C:3]2[CH:2]=[CH:10][CH:9]=[CH:8][C:4]=2[C:5]([OH:7])=[O:6])[C:39](=[O:41])[CH:40]=[CH:31]1
Reaction #1702024
DOI: 10.6084/m9.figshare.5104873.v1
[C:22]1(=[O:21])[N:13]([C:3]2[CH:2]=[CH:10][CH:9]=[CH:8][C:4]=2[C:5]([OH:7])=[O:6])[C:39](=[O:41])[CH:40]=[CH:31]1
Reaction #1702024
DOI: 10.6084/m9.figshare.5104873.v1
[C:22]1(=[O:21])[N:13]([C:3]2[CH:2]=[CH:10][CH:9]=[CH:8][C:4]=2[C:5]([OH:7])=[O:6])[C:39](=[O:41])[CH:40]=[CH:31]1
Reaction #1702024
DOI: 10.6084/m9.figshare.5104873.v1
[C:22]1(=[O:21])[N:13]([C:3]2[CH:2]=[CH:10][CH:9]=[CH:8][C:4]=2[C:5]([OH:7])=[O:6])[C:39](=[O:41])[CH:40]=[CH:31]1
Reaction #1702024
DOI: 10.6084/m9.figshare.5104873.v1
[S:1]([O-:7])([O-:4])(=[O:3])=[O:2]
Reaction #1702025
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:4][C:2]([C:5]1[CH:10]=[C:9]([OH:11])[CH:8]=[CH:7][C:6]=1[OH:12])([CH3:1])[CH3:3]
Reaction #1702026
DOI: 10.6084/m9.figshare.5104873.v1
[OH:134][C:133]1[CH:36]=[CH:35][C:56]([CH:57]=[C:58]([C:59]#[N:62])[C:101]([OH:102])=[O:127])=[CH:61][CH:60]=1
Reaction #1702027
DOI: 10.6084/m9.figshare.5104873.v1
[CH:10]1[CH:15]=[CH:14][C:13]([CH2:16][C@@H:17]2[NH:41][C:39](=[O:40])[C@H:38]([CH2:42][C:43]3[CH:44]=[CH:45][C:46]([OH:49])=[CH:47][CH:48]=3)[NH:37][C:35](=[O:36])[CH2:34][CH2:33][S:32][S:31][CH2:30][C@@H:29]([C:50]([N:52]3[C@H:56]([C:57]([NH:59][C@@H:60]([C:68]([NH:70][CH2:71][C:72]([NH2:74])=[O:73])=[O:69])[CH2:61][CH2:62][CH2:63][NH:64][C:65]([NH2:67])=[NH:66])=[O:58])[CH2:55][CH2:54][CH2:53]3)=[O:51])[NH:28][C:26](=[O:27])[C@H:25]([CH2:75][C:76]([NH2:78])=[O:77])[NH:24][C:22](=[O:23])[C@H:21]([CH2:79][CH2:80][C:81]([NH2:83])=[O:82])[NH:20][C:18]2=[O:19])=[CH:12][CH:11]=1
Reaction #1702028
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:17]([O:16][C:14]([N:8]([C:5]1[CH:6]=[CH:7][C:2]([OH:1])=[CH:3][CH:4]=1)[CH2:9][C:10]([OH:12])=[O:11])=[O:15])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1
Reaction #1702029
Yield 75.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C@@H:2]1[O:7][C@@H:6]([O:8][C@@H:9]2[C:14]3=[C:15]([OH:32])[C:16]4[C:28](=[O:29])[C:27]5[C:22](=[CH:23][CH:24]=[CH:25][C:26]=5[O:30][CH3:31])[C:20](=[O:21])[C:17]=4[C:18]([OH:19])=[C:13]3[CH2:12][C@@:11]([OH:37])([C:33]([CH2:35][OH:36])=[O:34])[CH2:10]2)[CH2:5][C@H:4]([NH2:38])[C@@H:3]1[OH:39]
Reaction #1702030
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][C@@:3]1([OH:31])[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:29](=[CH:30][C:4]1=2)[C:28]1[N:27]=[C:17]2[CH:18]=[CH:19][C:20]([OH:26])=[C:21]([CH2:22][N:23]([CH3:24])[CH3:25])[C:16]2=[CH:15][C:14]=1[CH2:13]3)=[O:11]
Reaction #1702031
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][C:3]1[C:12]2[CH2:13][N:14]3[C:19](=[O:20])[C:18]4[CH2:21][O:22][C:23]([C@:25]([OH:28])([CH2:26][CH3:27])[C:17]=4[CH:16]=[C:15]3[C:11]=2[N:10]=[C:9]2[C:4]=1[CH:5]=[C:6]([O:29][C:30]([N:32]1[CH2:33][CH2:34][CH:35]([N:38]3[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]3)[CH2:36][CH2:37]1)=[O:31])[CH:7]=[CH:8]2)=[O:24]
Reaction #1702032
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][CH2:6][CH3:7])(=[O:4])[CH:2]=[CH2:3]
Reaction #1702033
DOI: 10.6084/m9.figshare.5104873.v1
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