HRID306969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24499

Amidosulfonic acid chloride

H2ClNO2S

结构：CC1(C)OC2C(CO)OC(n3cnc4c(CCc5ccccc5)ncnc43)C2O1

HCID178431254

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC2C(COS(N)(=O)=O)OC(n3cnc4c(CCc5ccccc5)ncnc43)C2O1

HCID178431273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3672d6b106d46e0844c775077902a81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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