HRID2333449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

反应SMILES：CC(C)(C)OC(=O)NCCCNC(c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)C1CC1

HCID69591847

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NCCCN(C(=O)c1ccc(Cl)cc1)C(c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)C1CC1

HCID69591786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea455d68a89a4b70b5e9e18ce28d8c8a
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

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