Dichloromethane → 8-Dimethylamino-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

HRID 1126104Notes

Reaction equation

HRID 1126104 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:35])[n:33][o:34]3)[cH:27][cH:28][cH:29]2)=[O:36])[cH:10][c:11]([C:17]#[N:18])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)([CH3:6])([CH3:23])[CH3:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:35])[n:33][o:34]3)[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:36])[NH:19][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH3:16])[c:11]([C:17]#[N:18])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586921HCID 86586921, compound

Product 1

HCID 186134368-Dimethylamino-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

Sources & evidence

ORD record
ord-0542806e857b42aebaee8bb06c4c36b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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