HRID160057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID16462970

5-Bromopyrimidine-2-carboxylic acid

C5H3BrN2O2

结构：CCC1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1

HCID22709765

未命名化合物

PRODUCTS

生成物

结构：CCC1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1C(=O)c1ncc(Br)cn1

HCID22711311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37b4760fa8644678ab8f4c13559f5597
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[CH2:49]([Cl:50])[Cl:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[Cl-:47].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:26][c:27]1[cH:28][cH:29][c:30]2[c:31]([s:32][c:33]([S:35](=[O:36])(=[O:37])[N:38]3[CH2:39][CH:40]([CH2:44][CH3:45])[NH:41][CH2:42][CH2:43]3)[cH:34]2)[cH:46]1.[NH4+:48]>>[Br:1][c:2]1[cH:3][n:4][c:5]([C:8](=[O:10])[N:41]2[CH:40]([CH2:44][CH3:45])[CH2:39][N:38]([S:35]([c:33]3[s:32][c:31]4[c:30]([cH:29][cH:28][c:27]([Cl:26])[cH:46]4)[cH:34]3)(=[O:36])=[O:37])[CH2:43][CH2:42]2)[n:6][cH:7]1