HRID2324863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID18502

Isocyanatocyclohexane

C7H11NO

反应SMILES：Cc1c(C)n2nnnc2c2nc(CCl)n(CCCCN)c12

HCID67052346

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(C)n2nnnc2c2nc(CCl)n(CCCCNC(=O)NC3CCCCC3)c12

HCID67052393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6988e75acda544408bf23a59a02182e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:11][CH2:12][c:13]1[n:14]([CH2:27][CH2:28][CH2:29][CH2:30][NH2:31])[c:15]2[c:16]([c:17]3[n:18]([c:19]([CH3:22])[c:20]2[CH3:21])[n:23][n:24][n:25]3)[n:26]1.[Cl:32][CH2:33][Cl:34].[ClH:10].[O:1]=[C:2]=[N:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1>>[O:1]=[C:2]([NH:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[NH:31][CH2:30][CH2:29][CH2:28][CH2:27][n:14]1[c:13]([CH2:12][Cl:11])[n:26][c:16]2[c:15]1[c:20]([CH3:21])[c:19]([CH3:22])[n:18]1[c:17]2[n:25][n:24][n:23]1