Methyl 3-(chlorosulfonyl)propanoate → 3-({2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-4-ylmethyl}-sulfamoyl)-propionic acid methyl ester

반응식

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

참가 물질

반응물 2

HCID 4962888Methyl 3-(chlorosulfonyl)propanoate

HCID 597328161-(4-Aminomethyl-thiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methylphenyl)-urea

생성물 1

HCID 597328333-({2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-4-ylmethyl}-sulfamoyl)-propionic acid methyl ester

출처 및 근거

ORD 기록: ord-234714e1faeb49a1aec0470c09e212c9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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