6-Amino-1-hexanol → 6-[[3-[(6-Hydroxyhexyl)carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

반응식

[NH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][OH:52].[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][c:24]3[c:25]([NH:36][c:37]4[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]4)[c:26]([C:33](=[O:34])[NH2:35])[cH:27][n:28][c:29]3[c:30]([CH3:32])[cH:31]2)[cH:16][cH:17][cH:18]1>>[CH2:6]([CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][c:24]3[c:25]([NH:36][c:37]4[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]4)[c:26]([C:33](=[O:34])[NH2:35])[cH:27][n:28][c:29]3[c:30]([CH3:32])[cH:31]2)[cH:16][cH:17][cH:18]1)[CH2:50][CH2:51][OH:52]

참가 물질

반응물 2

HCID 199606-Amino-1-hexanol

HCID 669880286-[[3-[(8-Hydroxyoctyl)carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

생성물 1

HCID 669888056-[[3-[(6-Hydroxyhexyl)carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

출처 및 근거

ORD 기록: ord-f228508979454b3eb94eb03761042125
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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