HRID99898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8064

1,4-Butanediol

C4H10O2

HCID5360545

Sodium

结构：COc1ccccc1Oc1c(Cl)nc(C)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID18184223

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCCCO

HCID19095787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab5807581e7248309a05828d6c45f634
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:31])[n:18][c:19]([Cl:30])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH2:33]([CH2:34][CH2:35][CH2:36][OH:37])[OH:38].[Na:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:31])[n:18][c:19]([O:37][CH2:36][CH2:35][CH2:34][CH2:33][OH:38])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1