Toluene → 1-Cyclohexyl-3-(2,6-dimethyl-phenyl)-1-(2-phenyl-2H-indazol-3-yl)-urea

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 987872,6-Xylyl isocyanate

HCID 12318206N-Cyclohexyl-2-phenyl-2H-indazol-3-amine

생성물 1

HCID 451106171-Cyclohexyl-3-(2,6-dimethyl-phenyl)-1-(2-phenyl-2H-indazol-3-yl)-urea

출처 및 근거

ORD 기록: ord-ef1beee21d6b4c07961d5ccde0a81d61
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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