Water → Ethyl 3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-carbonyl]-amino}-propionate

HRID 1236298Notes

Reaction equation

HRID 1236298 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([Cl:20])[c:12]([NH2:19])[c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1.[NH:28]1[CH2:29][CH2:30][CH:31]([N:34]2[C:35](=[O:45])[NH:36][c:37]3[c:38]([cH:41][cH:42][cH:43][cH:44]3)[CH2:39][CH2:40]2)[CH2:32][CH2:33]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51]>>[NH:1]([CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([Cl:20])[c:12]([NH2:19])[c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[C:47]([N:28]1[CH2:29][CH2:30][CH:31]([N:34]2[C:35](=[O:45])[NH:36][c:37]3[c:38]([cH:41][cH:42][cH:43][cH:44]3)[CH2:39][CH2:40]2)[CH2:32][CH2:33]1)=[O:46]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 113795873-(Piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 22184527Ethyl 2-amino-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-propionate

Product 1

HCID 22184546Ethyl 3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-carbonyl]-amino}-propionate

Sources & evidence

ORD record
ord-c09f87cda76e4abda9529b2381677874
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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