2-(Benzenesulfonyl)ethan-1-amine → 7-[5-[[2-(Benzenesulfonyl)ethylamino]methyl]-1-methylpyrrol-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

반응식

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

참가 물질

반응물 2

HCID 35454972-(Benzenesulfonyl)ethan-1-amine

HCID 101611224-(2,4-Dichloro-5-methoxyanilino)-7-(5-formyl-1-methylpyrrol-2-yl)quinoline-3-carbonitrile

생성물 1

HCID 234378167-[5-[[2-(Benzenesulfonyl)ethylamino]methyl]-1-methylpyrrol-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

출처 및 근거

ORD 기록: ord-e4eb11e416054be6ba10d7ff06fa3a4e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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