HRID1567828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID458433

2,4,6-Trimethylbenzylamine

C10H15N

结构：CCCN1Cc2cc(Oc3cccc(C(=O)Cl)c3)ccc2N=C1N

HCID58625157

未命名化合物

PRODUCTS

生成物

结构：CCCN1Cc2cc(Oc3cccc(C(=O)NCc4c(C)cc(C)cc4C)c3)ccc2N=C1N

HCID58625130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46f926a1caa44944a4200b05d2f51bc9
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

[CH3:25][c:26]1[c:27]([CH2:28][NH2:29])[c:30]([CH3:35])[cH:31][c:32]([CH3:34])[cH:33]1.[Cl:36][CH2:37][Cl:38].[NH2:1][C:2]1=[N:3][c:4]2[cH:5][cH:6][c:7]([O:15][c:16]3[cH:17][c:18]([C:19](=[O:20])[Cl:21])[cH:22][cH:23][cH:24]3)[cH:8][c:9]2[CH2:10][N:11]1[CH2:12][CH2:13][CH3:14].[OH2:39]>>[NH2:1][C:2]1=[N:3][c:4]2[cH:5][cH:6][c:7]([O:15][c:16]3[cH:17][c:18]([C:19](=[O:20])[NH:29][CH2:28][c:27]4[c:26]([CH3:25])[cH:33][c:32]([CH3:34])[cH:31][c:30]4[CH3:35])[cH:22][cH:23][cH:24]3)[cH:8][c:9]2[CH2:10][N:11]1[CH2:12][CH2:13][CH3:14]