Hydrochloric Acid → Hydrochloric Acid

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 20738636[4-({[5-Fluoro-2-(4-fluoro-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric Acid

HCID 20738631N-[[4-(aminomethyl)phenyl]methyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide

출처 및 근거

ORD 기록: ord-7b6cc2c68bae45c485ef82647fb917b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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