HRID164036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID98787

Benzene, 2-isocyanato-1,3-dimethyl-

C9H9NO

HCID12318206

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

C19H21N3

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)N(c1c2ccccc2nn1-c1ccccc1)C1CCCCC1

HCID45110617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef1beee21d6b4c07961d5ccde0a81d61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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