HRID1574044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID604723

4-Methoxybenzenesulfonic acid

C7H8O4S

结构：CC(C)OC(=O)CCCCCOc1cc2c(cc1N)nc(-c1ccccc1)n2-c1ccccc1

HCID67364042

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)Nc2cc3nc(-c4ccccc4)n(-c4ccccc4)c3cc2OCCCCCC(=O)OC(C)C)cc1

HCID10304651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b35221ddde2e447b8a6afddd15329a5a
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

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