HRID109158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID5360545

Sodium

结构：CCc1c(OC)c(C)c(OC)c2c1C(=O)N(CCl)S2(=O)=O

HCID70052343

未命名化合物

HCID178527986

1-phenyltetrazole-5-thiol

C7H6N4S

PRODUCTS

生成物

结构：CCc1c(OC)c(C)c(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O

HCID67596817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7017de12429c40c3b7988e67c29a42b9
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:35]([O:36][CH2:37][CH3:38])(=[O:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:1][CH2:2][N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[c:8]([O:20][CH3:21])[c:9]([CH3:19])[c:10]([O:17][CH3:18])[c:11]([CH2:15][CH3:16])[c:12]2[C:13]1=[O:14].[Na:22].[c:23]1(-[n:29]2[n:30][n:31][n:32][c:33]2[SH:34])[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH2:2]([N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[c:8]([O:20][CH3:21])[c:9]([CH3:19])[c:10]([O:17][CH3:18])[c:11]([CH2:15][CH3:16])[c:12]2[C:13]1=[O:14])[S:34][c:33]1[n:29](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:30][n:31][n:32]1