HRID116142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1

HCID59380221

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1

HCID59379897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dfd76436411049c8a579368440a44ea2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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