Hydrochloric Acid → 3-(4-Aminomethyl-phenyl)-1-[2-(3,4-dichloro-phenyl)-2-hydroxy-ethyl]-1-isopropyl-urea

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH:23]([OH:24])[c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[cH:13][cH:14]1)([CH3:5])([CH3:6])[CH3:33].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[ClH:34]>>[NH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH:23]([OH:24])[c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[cH:13][cH:14]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 23560247(4-{3-[2-(3,4-Dichloro-phenyl)-2-hydroxy-ethyl]-3-isopropyl-ureido}-benzyl)-carbamic acid tert-butyl ester

생성물 1

HCID 186725123-(4-Aminomethyl-phenyl)-1-[2-(3,4-dichloro-phenyl)-2-hydroxy-ethyl]-1-isopropyl-urea

출처 및 근거

ORD 기록: ord-a937d54e321e4b4c8c7877c877750507
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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