HRID91896

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(CCCSc2ccc(O)cc2)n2cnnc2)cc1

HCID21976866

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N(CCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1

HCID21044501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e00142e29be44128b6c42e56bdd3f86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[OH2:38].[OH:13][c:14]1[cH:15][cH:16][c:17]([S:20][CH2:21][CH2:22][CH2:23][N:24]([c:25]2[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[n:33]2[cH:34][n:35][n:36][cH:37]2)[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][cH:16][c:17]([S:20][CH2:21][CH2:22][CH2:23][N:24]([c:25]2[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[n:33]2[cH:34][n:35][n:36][cH:37]2)[cH:18][cH:19]1