Acetic Acid → N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]methyl]acetamide

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 674597032-[[3-(aminomethyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

생성물 1

HCID 69318929N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]methyl]acetamide

출처 및 근거

ORD 기록: ord-7ec444fdeeb94605a4025df2ee50292a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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