HRID1224633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID44223694

3-Methoxy-1H-pyrazolo[3,4-b]pyridin-5-amine

C7H8N4O

HCID58095361

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl

HCID57400603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcf6c767d8024180913eb8abd3ff34fb
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

[CH3:19][O:20][c:21]1[n:22][nH:23][c:24]2[n:25][cH:26][c:27]([NH2:30])[cH:28][c:29]12.[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([F:18])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH2:15][CH2:16][CH3:17].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:30][c:27]2[cH:26][n:25][c:24]3[nH:23][n:22][c:21]([O:20][CH3:19])[c:29]3[cH:28]2)[c:7]([F:18])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH2:15][CH2:16][CH3:17]