HRID98596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(NS(C)(=O)=O)C2)n1

HCID46917869

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(N(C)S(C)(=O)=O)C2)n1

HCID46917931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b90421b3ca6d414a83dd291f571152d9
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

[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH:22]([NH:24][S:25](=[O:26])(=[O:27])[CH3:28])[CH2:23]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:29][cH:30][cH:31][c:32]2[O:33][CH3:34])[F:35].[I:42][CH3:43].[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH:22]([N:24]([S:25](=[O:26])(=[O:27])[CH3:28])[CH3:39])[CH2:23]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:29][cH:30][cH:31][c:32]2[O:33][CH3:34])[F:35]