HRID1234151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8900

Heptane

C7H16

HCID62375

Benzene, (dimethoxymethyl)-

C9H12O2

结构：COC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1

HCID66789129

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)C(c1ccccc1)O2

HCID66788983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd031e8b07044de9bae567bcb41409cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([Cl:21])[cH:20]2)[c:7]([OH:10])[cH:8][cH:9]1)=[O:24].[CH3:25][O:26][CH:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][CH3:35].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[O:10][CH:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:11]2[S:12](=[O:13])(=[O:14])[c:15]1[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([Cl:21])[cH:20]1)=[O:24]