HRID1567968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID84189

Ethoxyacetyl chloride

C4H7ClO2

结构：Cc1nc(Oc2ccccc2)c(N)c(NCCCCNC(=O)OC(C)(C)C)c1C

HCID12109126

未命名化合物

PRODUCTS

生成物

结构：CCOCC(=O)Nc1c(Oc2ccccc2)nc(C)c(C)c1NCCCCNC(=O)OC(C)(C)C

HCID12109142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bc444e801e4428983980ca2fe5e700a
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

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