Dichloromethane → 8-(4-Fluoro-phenylethynyl)-4-(3-pyridin-2-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 948678Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:23][C:24]([CH2:25][C:26](=[O:5])[c:27]2[cH:28][c:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)=[O:40])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:12][cH:13]1)([CH3:6])([CH3:39])[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:26]([c:27]2[cH:28][c:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)[CH2:25][C:24](=[O:40])[NH:23][c:9]2[c:8]1[cH:13][cH:12][c:11]([C:14]#[C:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589332{4-(4-Fluoro-phenylethynyl)-2-[3-oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

Product 1

HCID 223175278-(4-Fluoro-phenylethynyl)-4-(3-pyridin-2-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-c7ff94ca7b6f45f486e373ad951f6f45
Source dataset: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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