Acetic Acid → N-{4-[(3-Bromophenyl)amino]-3-cyano-8-dimethylaminomethyl-6-quinolinyl}acetamide

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 7918Acetic Anhydride

HCID 101353526-Amino-4-[(3-bromophenyl)amino]-8-dimethylaminomethyl-3-quinolinecarbonitrile

생성물 1

HCID 10296862N-{4-[(3-Bromophenyl)amino]-3-cyano-8-dimethylaminomethyl-6-quinolinyl}acetamide

출처 및 근거

ORD 기록: ord-e61b4185851848e5af4aaab2a3311b2a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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