Hydrochloric Acid → 2-[4-[4-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]piperidin-1-yl]acetic acid
Reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[ClH:58].[Li+:2].[O:3]=[C:4]1[NH:5][c:6]2[c:7]([cH:54][cH:55][cH:56][cH:57]2)[CH2:8][CH2:9][N:10]1[CH:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][CH:20]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([CH:29]3[CH2:30][CH2:31][N:32]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:33][CH2:34]3)[CH2:27][CH2:28]2)[CH2:41][c:42]2[cH:43][c:44]([Cl:53])[c:45]([NH2:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]2)[CH2:15][CH2:16]1.[OH-:1].[OH2:59]>>[O:3]=[C:4]1[NH:5][c:6]2[c:7]([cH:54][cH:55][cH:56][cH:57]2)[CH2:8][CH2:9][N:10]1[CH:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][CH:20]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([CH:29]3[CH2:30][CH2:31][N:32]([CH2:35][C:36](=[O:37])[OH:38])[CH2:33][CH2:34]3)[CH2:27][CH2:28]2)[CH2:41][c:42]2[cH:43][c:44]([Cl:53])[c:45]([NH2:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]2)[CH2:15][CH2:16]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2376986506f04aa3987a351ff7b71e18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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