Hydrochloric Acid → 5-[3-[1-(2-toluoylmethyl)-2-oxo-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]-2-methylbenzoic acid
Reaction equation
[CH3:55][OH:56].[ClH:49].[Li+:48].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:47].[OH2:46].[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:40](=[O:41])[O:42][CH3:43])[c:36]([CH3:39])[cH:37][cH:38]3)[CH2:13][N:14]([C:22]([c:23]3[cH:24][cH:25][cH:26][s:27]3)=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:40](=[O:41])[OH:42])[c:36]([CH3:39])[cH:37][cH:38]3)[CH2:13][N:14]([C:22]([c:23]3[cH:24][cH:25][cH:26][s:27]3)=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-9874668c12e9443ba0d58bd8a7e7200f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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