HRID802849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID24499

Amidosulfonic acid chloride

H2ClNO2S

HCID31374

Dimethylacetamide

C4H9NO

结构：COc1cc(CN(c2ccc(C#N)cc2)n2cnnc2)cc(Cl)c1O

HCID16749115

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(c2ccc(C#N)cc2)n2cnnc2)cc(Cl)c1OS(N)(=O)=O

HCID16749441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-136b8ca211ed4f7ebf13964349574ab1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[CH3:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:13][c:14]1[cH:15][c:16]([CH2:17][N:18]([c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:27]2[cH:28][n:29][n:30][cH:31]2)[cH:32][c:33]([O:36][CH3:37])[c:34]1[OH:35].[OH2:38].[S:1]([NH2:2])(=[O:3])(=[O:4])[Cl:5]>>[S:1]([NH2:2])(=[O:3])(=[O:4])[O:35][c:34]1[c:14]([Cl:13])[cH:15][c:16]([CH2:17][N:18]([c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:27]2[cH:28][n:29][n:30][cH:31]2)[cH:32][c:33]1[O:36][CH3:37]