HRID1238068

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(Cc2ccc(O)c(Cl)c2)n2cnnc2)cc1

HCID21976872

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1

HCID11732219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def27b5f1c0b43d1b6fa89cc54e5ce6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[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][cH:33][c:34]1[OH:35].[OH2:36].[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][cH:33]1