Toluene → 4-[3-Cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-3-methyl-benzoic acid methyl ester

반응식

[CH3:23][O:24][C:25]([c:26]1[cH:27][c:28]([CH3:35])[c:29]([N:32]=[C:33]=[O:34])[cH:30][cH:31]1)=[O:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]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>>[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:33]([NH:32][c:29]2[c:28]([CH3:35])[cH:27][c:26]([C:25]([O:24][CH3:23])=[O:36])[cH:31][cH:30]2)=[O:34])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 1140Toluene

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

HCID 86069399Methyl 4-isocyanato-3-methylbenzoate

생성물 1

HCID 669057094-[3-Cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-3-methyl-benzoic acid methyl ester

출처 및 근거

ORD 기록: ord-10bb157a38dd47e18e0050d330e08857
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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