2-[4-(4-Aminophenyl)piperidin-1-yl]ethan-1-ol → N-tert-butyl-3-(2-{4-[1-(2-hydroxy-ethyl)-piperidin-4-yl]-phenylamino}-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzenesulfonamide

반응식

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

참가 물질

반응물 2

HCID 574160902-[4-(4-Aminophenyl)piperidin-1-yl]ethan-1-ol

HCID 178449976HCID 178449976, 화합물

생성물 1

HCID 66711278N-tert-butyl-3-(2-{4-[1-(2-hydroxy-ethyl)-piperidin-4-yl]-phenylamino}-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzenesulfonamide

출처 및 근거

ORD 기록: ord-8a50d899feb842c79f48c816f27a73c7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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