4-(2-Aminoethyl)benzenesulfonamide → 4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

반응식

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

참가 물질

반응물 2

HCID 1696824-(2-Aminoethyl)benzenesulfonamide

HCID 469067184-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

생성물 1

HCID 583277824-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

출처 및 근거

ORD 기록: ord-eb12913f4d834c96b6ef89442d7b702c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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