HRID2332014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7914

Isopropyl ether

C6H14O

结构：CCCCC(O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1

HCID23060573

未命名化合物

PRODUCTS

生成物

HCID23060891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7c42e2228db476b896a5f43af8901bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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