Cyclohexyl isocyanate → 1-Butyl-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-urea

반응식

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

참가 물질

반응물 2

HCID 18502Cyclohexyl isocyanate

HCID 66905446butyl-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-amine

생성물 1

HCID 451106161-Butyl-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-urea

출처 및 근거

ORD 기록: ord-5545c955fac14f8d84cb9f9bf0ad11e2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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