HRID700747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7255

3-Chloro-4-methylaniline

C7H8ClN

结构：CCOC(=O)C1CCCN(C(=O)c2ccccc2C)C1c1ccc(NC2CCCC2)cc1

HCID68003902

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3C)C2c2ccc(NC3CCCC3)cc2)cc1Cl

HCID68717672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a399dd93305f494c87bfab4435ed86a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:10]([O:12][C:13](=[O:11])[CH:15]1[CH:16]([c:30]2[cH:31][cH:32][c:33]([NH:36][CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[cH:34][cH:35]2)[N:17]([C:21]([c:22]2[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]2)=[O:29])[CH2:18][CH2:19][CH2:20]1)[CH3:14].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][c:4]([NH2:9])[cH:5][cH:6][c:7]1[CH3:8].[Cl:49][CH:50]([Cl:51])[CH3:52].[Cl:53][CH2:54][Cl:55]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][C:13](=[O:12])[CH:15]2[CH:16]([c:30]3[cH:31][cH:32][c:33]([NH:36][CH:37]4[CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:34][cH:35]3)[N:17]([C:21]([c:22]3[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[CH2:18][CH2:19][CH2:20]2)[cH:5][cH:6][c:7]1[CH3:8]