HRID2346193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

结构：O=C(c1ccc2n1Cc1ccccc1N(S(=O)(=O)c1ccc(Br)cc1)C2)C(Cl)(Cl)Cl

HCID68686100

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(S(=O)(=O)c1ccc(Br)cc1)C2

HCID68690112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-378464c1e5be41efa85babbf07b35fd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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