Dichloromethane → 8-(2-Fluoro-phenyl)-4-(3-[1,2,3]triazol-1-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 2319273Notes

Reaction equation

HRID 2319273 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([O:38][CH2:39][C:40]([F:41])([F:42])[F:43])[c:11](-[c:31]2[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]2)[cH:12][c:13]1[NH:14][C:15]([CH2:16][C:17](=[O:5])[c:18]1[cH:19][c:20](-[n:24]2[n:25][n:26][cH:27][cH:28]2)[cH:21][cH:22][cH:23]1)=[O:30])([CH3:6])([CH3:29])[CH3:44].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[N:7]1=[C:17]([c:18]2[cH:19][c:20](-[n:24]3[n:25][n:26][cH:27][cH:28]3)[cH:21][cH:22][cH:23]2)[CH2:16][C:15](=[O:30])[NH:14][c:13]2[c:8]1[cH:9][c:10]([O:38][CH2:39][C:40]([F:41])([F:42])[F:43])[c:11](-[c:31]1[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]1)[cH:12]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586820HCID 86586820, compound

Product 1

HCID 102783618-(2-Fluoro-phenyl)-4-(3-[1,2,3]triazol-1-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-b6a598459696433b9cbf1820379bf21e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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