HRID1560824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID61230

Diazodiphenylmethane

C13H10N2

反应SMILES：O=C(O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID73078134

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(OC(c1ccccc1)c1ccccc1)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID88662905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8488b27c5d2f4673b92f8aa7644acc40
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

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