Hydrochloric Acid → 2-[[5-(Carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexylbutanoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([cH:28][cH:29][cH:30][cH:31]2)[N:21]([CH2:24][C:25](=[O:26])[OH:27])[C:22]1=[O:23].[CH3:35][CH2:36][OH:37].[ClH:34].[Na+:33].[OH-:32]>>[O:3]=[C:4]([OH:5])[CH:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([cH:28][cH:29][cH:30][cH:31]2)[N:21]([CH2:24][C:25](=[O:26])[OH:27])[C:22]1=[O:23]Participants
6
Sources & evidence
- ORD record
- ord-a5338bd0275c4651aeb5905e38bb217d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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