Hydrogen Bromide → 8-(1-(3-cyano-2-methylphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

반응식

[Br:12][CH:13]([CH3:14])[c:15]1[cH:16][c:17]([C:32](=[O:33])[N:34]([CH3:35])[CH3:36])[cH:18][c:19]2[c:20](=[O:31])[cH:21][c:22]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[o:23][c:24]12.[BrH:11].[NH2:1][c:2]1[c:3]([CH3:10])[c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1>>[NH:1]([c:2]1[c:3]([CH3:10])[c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1)[CH:13]([CH3:14])[c:15]1[cH:16][c:17]([C:32](=[O:33])[N:34]([CH3:35])[CH3:36])[cH:18][c:19]2[c:20](=[O:31])[cH:21][c:22]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[o:23][c:24]12

참가 물질

반응물 3

HCID 260Hydrogen Bromide

HCID 2548423-Amino-2-methylbenzonitrile

HCID 582349878-(1-bromoethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

생성물 1

HCID 582350688-(1-(3-cyano-2-methylphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

출처 및 근거

ORD 기록: ord-660e98f7131f4fc2822be9467d717df8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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