HRID204740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID110862

2,6-Dimethyl morpholine

C6H13NO

结构：O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1

HCID59788746

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3cccnc3)cc2F)CC(C)O1

HCID69186204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43350a5f56704f319e163e96cdaedd45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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