Dimethylformamide → 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 162271Notes

Reaction equation

HRID 162271 reaction equation
[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[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:30]1[CH2:31][CH2:32][CH:33]([N:36]2[C:37](=[O:47])[NH:38][c:39]3[c:40]([cH:43][cH:44][cH:45][cH:46]3)[CH2:41][CH2:42]2)[CH2:34][CH2:35]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[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:49]([N:30]1[CH2:31][CH2:32][CH:33]([N:36]2[C:37](=[O:47])[NH:38][c:39]3[c:40]([cH:43][cH:44][cH:45][cH:46]3)[CH2:41][CH2:42]2)[CH2:34][CH2:35]1)=[O:48]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 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-14d5e01df85442b8bc15e41b9924b92a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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