HRID192226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID68986

2-Butanamine, 2-methyl-

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2Cc1ccc(C(=O)NC(C)(C)C)cc1OC

HCID22922491

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2Cc1ccc(C(=O)NC(C)(C)CC)cc1OC

HCID22922542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb2673887c0f45b0972e0fd080162399
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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