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

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 674260426-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile

생성물 1

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

출처 및 근거

ORD 기록: ord-e71eaa2cd3ca4a109fb4fa910340d7b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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