Dichloromethane → 8-(2-Fluorophenyl)-7-methoxy-4-[3-(2-methylimidazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

HRID 1549533Notes

Reaction equation

HRID 1549533 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([O:39][CH3:40])[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](-[n:25]2[c:26]([CH3:30])[n:27][cH:28][cH:29]2)[cH:22][cH:23][cH:24]1)=[O:31])([CH3:6])([CH3:18])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[N:7]1=[C:17]([c:19]2[cH:20][c:21](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH: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][CH3:40])[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 86758246tert-butyl N-[4-(2-fluorophenyl)-5-methoxy-2-[[3-[3-(2-methylimidazol-1-yl)phenyl]-3-oxopropanoyl]amino]phenyl]carbamate

Product 1

HCID 98678838-(2-Fluorophenyl)-7-methoxy-4-[3-(2-methylimidazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Sources & evidence

ORD record
ord-43cba6bda3d647bba563556f8c98f045
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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