HRID195976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1nc2ccc(Br)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

HCID11540085

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(N3CCC(N(C)C)C3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

HCID11670633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c3a8b66c8be4a109dec430a2878127c
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[cH:3][c:4]2[c:5](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]3)[c:6]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1.[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:29][N:30]([CH:31]1[CH2:32][NH:33][CH2:34][CH2:35]1)[CH3:36].[CH3:37][OH:38]>>[c:2]1([N:33]2[CH2:32][CH:31]([N:30]([CH3:29])[CH3:36])[CH2:35][CH2:34]2)[cH:3][c:4]2[c:5](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]3)[c:6]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1