HRID682266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID599539

2-Amino-5-bromopyrazine

C4H4BrN3

结构：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)O)cc1Cl

HCID21959049

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)Nc2cnc(Br)cn2)cc1Cl

HCID9983551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd68690c06194d2d9b29c22ea80aea6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:43]([Cl:44])[Cl:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[NH2:29][c:30]1[n:31][cH:32][c:33]([Br:36])[n:34][cH:35]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:29][c:30]2[n:31][cH:32][c:33]([Br:36])[n:34][cH:35]2)[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]