HRID108235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID33643

1-Iodopropane

C3H7I

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)C1CC(NS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)N1OCc1ccccc1

HCID178439411

未命名化合物

PRODUCTS

生成物

结构：CCCN(C1CC(C(C)C)N(OCc2ccccc2)C1=O)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID178456749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-660a0540a42549289ac94086c74d4f94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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