Hydrochloric Acid → ethyl 2-[[5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate
Reaction equation
[C:1]1([c:7]2[c:8]([CH3:32])[cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][c:15]4[n:16]([c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]4)[CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:30][cH:31]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH2:34]([CH3:35])[O:36][C:37]([CH:38]([NH2:39])[CH2:40][c:41]1[cH:42][cH:43][c:44]([OH:47])[cH:45][cH:46]1)=[O:48].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[ClH:33].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]1([c:7]2[c:8]([CH3:32])[cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][c:15]4[n:16]([c:24]([C:27](=[O:28])[NH:39][CH:38]([C:37]([O:36][CH2:34][CH3:35])=[O:48])[CH2:40][c:41]5[cH:42][cH:43][c:44]([OH:47])[cH:45][cH:46]5)[cH:25][cH:26]4)[CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:30][cH:31]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-d3585fa9c3014d0b968a69c12097743c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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