Dichloromethane → 4-(3-Pyridin-4-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 124097Notes

Reaction equation

HRID 124097 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:37])[cH:10][cH:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:23]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:22][C:21](=[O:37])[NH:20][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589266[2-[3-Oxo-3-(3-pyridin-4-yl-phenyl)-propionylamino]-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223176734-(3-Pyridin-4-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-2099b1a2f9db4cd98ead76b4f3f94b7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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