HRID1535777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24499

Amidosulfonic acid chloride

H2ClNO2S

结构：CC1(C)OC2C(CO)OC(n3cnc4c(C#Cc5ccccc5)ncnc43)C2O1

HCID68152139

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC2C(COS(N)(=O)=O)OC(n3cnc4c(C#Cc5ccccc5)ncnc43)C2O1

HCID178431272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65457dd347bd479480462b796bbf7af3
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

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