HRID1572576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1099

Sulfite

O3S-2

结构：Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

HCID7306

6,6'-Di-tert-butyl-4,4'-thiodi-o-cresol

C22H30O2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID12873628

未命名化合物

PRODUCTS

生成物

HCID12873629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a072f6f5cef4ceb97611f9da67c3448
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

[C:20]([c:21]1[cH:22][c:23]([S:24][c:25]2[cH:26][c:27]([CH3:28])[c:29]([OH:31])[c:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37]2)[cH:38][c:39]([CH3:40])[c:41]1[OH:30])([CH3:42])([CH3:43])[CH3:44].[CH3:66][CH2:67][OH:68].[Cl:1][C:2]([CH2:3][C:4]([C:5]#[N:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[CH2:19].[Cl:62][CH2:63][CH2:64][Cl:65].[Na+:60].[Na+:61].[OH:45][O:46][C:47]([c:48]1[cH:49][c:50]([Cl:51])[cH:52][cH:53][cH:54]1)=[O:55].[S:56]([O-:57])([O-:58])=[O:59]>>[CH2:3]([C:4]([C:5]#[N:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:64](=[O:30])[CH2:63][Cl:62]