Hydrochloric Acid → 3-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzonitrile

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 666995503-[{4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-(tetrahydro-pyran-2-yloxy)-methyl]-benzonitrile

생성물 1

HCID 666995203-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzonitrile

출처 및 근거

ORD 기록: ord-1fe6bf33610f464ba4b4a5f4755d20ed
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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