1-Amino-3-(4-chloro-phenoxy)-propan-2-ol → 7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [3-(4-chloro-phenoxy)-2-hydroxy-propyl]-amide

반응식

[NH2:1][CH2:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[OH:13].[O:14]=[C:15]1[CH2:16][CH2:17][CH2:18][c:19]2[c:20]1[s:21][cH:22][c:23]2[S:24](=[O:25])(=[O:26])[Cl:27]>>[NH:1]([CH2:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[OH:13])[S:24]([c:23]1[c:19]2[c:20]([s:21][cH:22]1)[C:15](=[O:14])[CH2:16][CH2:17][CH2:18]2)(=[O:25])=[O:26]

참가 물질

반응물 2

HCID 27708821-Amino-3-(4-chloro-phenoxy)-propan-2-ol

HCID 210986857-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-sulfonyl chloride

생성물 1

HCID 210986827-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [3-(4-chloro-phenoxy)-2-hydroxy-propyl]-amide

출처 및 근거

ORD 기록: ord-5bbf90814c7b477db7cbfd6d84afc97c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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