Cyclohexyl isocyanate → 1-[[3-(Azepane-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfonyl]-3-cyclohexylurea
Reaction equation
[CH2:34]1[c:35]2[cH:36][cH:37][c:38]([S:39]([NH2:40])(=[O:41])=[O:42])[cH:43][c:44]2[CH2:45][CH2:46][NH:47][CH2:48]1.[CH:25]1([N:31]=[C:32]=[O:33])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[N:1]1([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][c:13]3[c:14]([cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[NH2:24])[cH:20]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[N:49]1([C:50]([Cl:51])=[O:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1>>[N:1]1([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][c:13]3[c:14]([cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[NH:24][C:32]([NH:31][CH:25]4[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]4)=[O:33])[cH:20]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-188baf9020de468080362643273def68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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