Water → [4-(3-Amino-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-(10,11-dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-methanone
Reaction equation
[N:1](=[N+:2]=[N-:3])[CH:4]1[C:5]([CH3:33])=[C:6]([c:10]2[c:11]([CH3:32])[cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([cH:29][cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[NH2:1][CH:4]1[C:5]([CH3:33])=[C:6]([c:10]2[c:11]([CH3:32])[cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([cH:29][cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-7671c81047d14ef1bff051207c19323b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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