Toluene → 1-Benzyl-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-urea

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 18502Cyclohexyl isocyanate

HCID 66905008Benzyl-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-amine

생성물 1

HCID 451107431-Benzyl-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-urea

출처 및 근거

ORD 기록: ord-1097e44f62834ec98b805aa7e9c6970f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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