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

反応式

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

参加物

反応物 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589243{4-Chloro-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

生成物 1

HCID 223175288-Chloro-4-(3-pyridin-3-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

出典と根拠

ORDレコード: ord-e3e6233fab0f4ebd9bf2f65275a1fb56
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…