HRID150627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

反应SMILES：CCC(NCCCNC(=O)OC(C)(C)C)c1nn2cccc2c(=O)n1Cc1ccccc1

HCID21025743

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(c1nn2cccc2c(=O)n1Cc1ccccc1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1

HCID69591860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-79227801fcb745b5b1918e35ca58a72c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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