Dichloromethane → 8-(2-Fluoro-phenyl)-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 676295Notes

Reaction equation

HRID 676295 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([O:39][CH2:40][C:41]([F:42])([F:43])[F:44])[c:11](-[c:32]2[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]2)[cH:12][c:13]1[NH:14][C:15]([CH2:16][C:17](=[O:5])[c:19]1[cH:20][c:21](-[c:25]2[cH:26][c:27]([CH3:30])[n:28][o:29]2)[cH:22][cH:23][cH:24]1)=[O:31])([CH3:6])([CH3:18])[CH3:45].[Cl:53][CH2:54][Cl:55].[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[N:7]1=[C:17]([c:19]2[cH:20][c:21](-[c:25]3[cH:26][c:27]([CH3:30])[n:28][o:29]3)[cH:22][cH:23][cH:24]2)[CH2:16][C:15](=[O:31])[NH:14][c:13]2[c:8]1[cH:9][c:10]([O:39][CH2:40][C:41]([F:42])([F:43])[F:44])[c:11](-[c:32]1[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]1)[cH:12]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586819HCID 86586819, compound

Product 1

HCID 186132058-(2-Fluoro-phenyl)-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-a8183cdabe1e436aa19d5e3053423a7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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