3-Mercaptopropanol → 2-Chloro-5-[2-(3-hydroxypropylthio)ethoxy]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide

반응식

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

참가 물질

반응물 2

HCID 882113-Mercaptopropanol

HCID 227314842-chloro-5-(2-chloroethoxy)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide

생성물 1

HCID 101815962-Chloro-5-[2-(3-hydroxypropylthio)ethoxy]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide

출처 및 근거

ORD 기록: ord-ab995fae43fd42bdabeb24cc3a06ed3a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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