HRID294648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(Nc4nncs4)c3cc2OC)c1

HCID57788000

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3nncs3)ncnc2cc1OCc1cccc(S(C)(=N)=O)c1

HCID57788009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dce402aeb5f342e3b2661ce2329bf0a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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