HRID2137534

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：N#Cc1ccc(N(CCSc2cccc(O)c2)n2cnnc2)cc1

HCID21976910

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N(CCSc2cccc(OS(N)(=O)=O)c2)n2cnnc2)cc1

HCID11538931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdec5eaa84ab4e8290e757492511d453
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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