HRID699933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC(=O)Nc1cn2nc(B3OC(C)(C)C(C)(C)O3)ccc2n1

HCID57749440

未命名化合物

结构：CNC(C)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1

HCID57749441

未命名化合物

PRODUCTS

生成物

结构：CNC(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)cn4n3)cnc2Cl)cc1

HCID44125255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c835bf1b5e24df781194d8d99f3adc8
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

[Br:1][c:2]1[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[NH:21][CH3:22])[cH:17][cH:18]2)[c:5]([Cl:8])[n:6][cH:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]3[n:35]([n:36]2)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]3)[O:44]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:61][OH:62].[Cl:58][CH2:59][Cl:60].[K+:49].[K+:50].[OH2:57]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]3[n:35]([n:36]2)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]3)[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[NH:21][CH3:22])[cH:17][cH:18]2)[c:5]([Cl:8])[n:6][cH:7]1