Toluene → 8-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carbothioic acid (2-chloro-phenyl)-amide
Reaction equation
[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:35])[S:33][P:34]([c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)(=[S:44])[S:45]2)[cH:46][cH:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[c:11]2[s:12][c:13]3[c:19]([n:20]2)-[c:18]2[c:17]([cH:24][c:23]([Br:25])[cH:22][cH:21]2)[O:16][CH2:15][CH2:14]3)[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([NH:8][C:9]([c:11]2[s:12][c:13]3[c:19]([n:20]2)-[c:18]2[c:17]([cH:24][c:23]([Br:25])[cH:22][cH:21]2)[O:16][CH2:15][CH2:14]3)=[S:35])[cH:4][cH:5][cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-a14457928e004104842d57ae59d6b00c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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