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

HRID 171773Notes

Reaction equation

HRID 171773 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:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH3:36])[n:34][o:35]3)[cH:28][cH:29][cH:30]2)=[O:37])[cH:10][c:11]([CH3:19])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)([CH3:6])([CH3:24])[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:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH3:36])[n:34][o:35]3)[cH:28][cH:29][cH:30]2)[CH2:22][C:21](=[O:37])[NH:20][c:9]2[c:8]1[cH:13][c:12]([N:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[c:11]([CH3:19])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586894(4-Methyl-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-pyrrolidin-1-yl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 186132518-Methyl-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-7-pyrrolidin-1-yl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-761474ad779642cb841e89a7212fe2ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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