Hydrochloric Acid → 4-amino-5-chloro-2-methoxy-N-((1-(5-phenylsulfinylpentyl)piperidin-4-yl)methyl)benzamide

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 98177134-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamide

HCID 541211625-Phenylsulfinylpentyl chloride

생성물 1

HCID 537900774-amino-5-chloro-2-methoxy-N-((1-(5-phenylsulfinylpentyl)piperidin-4-yl)methyl)benzamide

출처 및 근거

ORD 기록: ord-bee0ecd9ee3045aa8d06be631d95e456
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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