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Dataset #516

[Cl-:17]
Reaction #2314274
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:13]([CH2:12][CH2:11][CH2:15][CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])=[O:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
Reaction #2314275
Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1
[N+3:4]
Reaction #2314276
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:13]1[CH:14]=[CH:15][C:16]([CH:19]=[O:20])=[CH:17][CH:18]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12]
Reaction #2314277
Yield 40.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][CH2:2][Br:5])=[CH:9][CH:8]=1
Reaction #2314278
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:2]([C:3]([CH:4]=[CH2:5])=[CH2:2])[CH2:3][CH2:4][CH2:5][CH3:6]
Reaction #2314279
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][C:8]([CH3:10])=[CH:7][CH2:6][CH2:5][C:5]1[CH2:11][CH2:10][CH:8]([CH2:9][C:12]#[N:13])[CH2:7][CH:6]=1
Reaction #2314280
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:3][C:4]([CH3:17])=[CH:5][CH2:6][CH2:7][C:8]1[CH2:13][CH2:12][CH:11]([CH2:14][C:15]([OH:19])=[O:1])[CH2:10][CH:9]=1
Reaction #2314281
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]([CH3:16])=[CH:3][CH2:4][CH2:5][C:6]1[CH2:11][CH2:10][CH:9]([CH2:12][C:13]([Cl:20])=[O:14])[CH2:8][CH:7]=1
Reaction #2314282
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]([CH3:16])=[CH:3][CH2:4][CH2:5][C:6]1[CH2:11][CH2:10][CH:9]([CH2:12][C:13]([C:20]2[CH:21]=[CH:22][C:17]([O:23][CH3:24])=[CH:18][CH:19]=2)=[O:14])[CH2:8][CH:7]=1
Reaction #2314283
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]([CH3:23])=[CH:3][CH2:4][CH2:5][C:6]1[CH2:11][CH2:10][CH:9]([CH2:12][CH2:13][C:15]2[CH:16]=[CH:17][C:18]([O:21][CH3:22])=[CH:19][CH:20]=2)[CH2:8][CH:7]=1
Reaction #2314284
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]([CH3:22])=[CH:3][CH2:4][CH2:5][C:6]1[CH2:11][CH2:10][CH:9]([CH2:12][CH2:13][C:14]2[CH:15]=[CH:16][C:17]([OH:20])=[CH:18][CH:19]=2)[CH2:8][CH:7]=1
Reaction #2314285
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]([CH3:21])=[CH:3][CH2:4][CH2:5][C:6]1[CH2:11][CH2:10][CH:9]([CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:36][CH2:33][CH:26]3[CH2:32][CH2:31][C:29]([CH2:30][CH2:1][CH2:2][CH2:3][CH3:4])=[CH:28][CH2:27]3)=[CH:16][CH:15]=2)[CH2:8][CH:7]=1
Reaction #2314286
DOI: 10.6084/m9.figshare.5104873.v1
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][Br:12])=[CH:4][CH:3]=1
Reaction #2314287
DOI: 10.6084/m9.figshare.5104873.v1
[O:12]1[CH2:17][CH2:16][CH2:15][CH2:14][CH:13]1[O:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][Br:11])=[CH:4][CH:3]=1
Reaction #2314288
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:17]
Reaction #2314289
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:42]([C@H:47]1[CH2:48][CH2:49][C@H:50]([CH:53]=[CH:17][CH2:16][CH2:15][C:12]2[CH:11]=[CH:10][CH:9]=[CH:14][C:13]=2[OH:55])[CH2:51][CH2:52]1)[CH2:43][CH2:44][CH2:45][CH3:46]
Reaction #2314290
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:27]([CH:28]1[CH2:33][CH2:32][C:31]([C:34]([O:22][C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=2[CH2:15][CH2:14][CH2:13][CH2:12][CH:9]2[CH2:8][CH2:7][CH:6]([CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])[CH2:11][CH2:10]2)=[O:35])=[CH:30][CH2:29]1)[CH2:26][CH2:25][CH2:24][CH3:23]
Reaction #2314291
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:4][CH:11]1[CH2:16][CH2:17][C:18]([CH3:19])=[CH:13][CH2:12]1)(=[O:3])[CH3:2]
Reaction #2314292
DOI: 10.6084/m9.figshare.5104873.v1
[S:15]([O:8][CH:5]1[CH2:6][CH2:7][C:2]([CH3:1])=[CH:3][CH2:4]1)([C:12]1[CH:13]=[CH:14][C:9]([CH3:19])=[CH:10][CH:11]=1)(=[O:17])=[O:16]
Reaction #2314293
DOI: 10.6084/m9.figshare.5104873.v1
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