Dichloromethane → 4-[8-(2-Fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

HRID 1116786Notes

Reaction equation

HRID 1116786 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([O:35][CH3:36])[c:11](-[c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]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]#[N:26])[n:22][cH:23][cH:24]1)=[O:27])([CH3:6])([CH3:18])[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:17]([c:19]2[cH:20][c:21]([C:25]#[N:26])[n:22][cH:23][cH:24]2)[CH2:16][C:15](=[O:27])[NH:14][c:13]2[c:8]1[cH:9][c:10]([O:35][CH3:36])[c:11](-[c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1)[cH:12]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86758249tert-butyl N-[2-[[3-(2-cyano-4-pyridinyl)-3-oxopropanoyl]amino]-4-(2-fluorophenyl)-5-methoxyphenyl]carbamate

Product 1

HCID 98431554-[8-(2-Fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Sources & evidence

ORD record
ord-c4c636830c814dd6ba057f28af5a560b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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