HRID2161684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8083

Morpholine

C4H9NO

HCID19660

Carbonate

CO3-2

结构：COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCI)c2cc1OC

HCID67147634

5-fluoro-2-[1-(2-iodoethyl)-5,6-dimethoxy-1H-indol-3-yl]-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

C26H23FIN3O4S

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCOCC3)c2cc1OC

HCID67147549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a430864730724acc906f28c0c9730106
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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