Chloride → 4-[3-(2-Azetidin-1-ylmethyl-pyridin-4-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 692812Notes

Reaction equation

HRID 692812 reaction equation
[CH2:42]1[CH2:43][NH:44][CH2:45]1.[Cl-:41].[Cl:46][CH2:47][Cl:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:1][CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:33]([F:34])([F:35])[F:36])[c:25]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1.[S:37]([Cl:38])([Cl:39])=[O:40]>>[CH2:2]([c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:33]([F:34])([F:35])[F:36])[c:25]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1)[N:44]1[CH2:43][CH2:42][CH2:45]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 10422AzetidineHCID 24386Thionyl ChlorideHCID 22317746HCID 22317746, compound

Product 1

HCID 223174064-[3-(2-Azetidin-1-ylmethyl-pyridin-4-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-ede1716516ee40a09c560ca68b3cd9fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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