HRID1560145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID75994

1-Benzylpiperazine

C11H16N2

HCID105034

Isocyanate

CNO-

HCID20538742

未命名化合物

PRODUCTS

产物

HCID20538750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0036d4fd81df4859a5ff7f7123461c52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([O:17][CH3:18])[c:8]([C:9]([N:10]=[N+:11]=[N-:12])=[O:13])[cH:14][c:15]1[Cl:16].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:19][CH2:20][Cl:21].[N-:35]=[C:36]=[O:37]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([O:17][CH3:18])[c:8]([NH:35][C:36]([N:32]2[CH2:31][CH2:30][N:29]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:34][CH2:33]2)=[O:37])[cH:14][c:15]1[Cl:16]