HRID1144090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8003

Pentane

C5H12

HCID8857

Ethyl acetate

C4H8O2

HCID31347

Sulfolane

C4H8O2S

HCID91867

2,4-Difluorobenzyl alcohol

C7H6F2O

HCID166653

Hydride

H-

结构：Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Oc2cc(C(F)(F)F)nn2C)n1

HCID54060249

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(OCc2ccc(F)cc2F)n1

HCID53946965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f8b0ff505f3420fab7a33f59299b749
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:13](#[N:14])[c:15]1[cH:16][c:17]([O:32][c:33]2[n:34]([CH3:35])[n:36][c:37]([C:38]([F:39])([F:40])[F:41])[cH:42]2)[n:18][c:19]([O:21][c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[n:25][n:26]2[CH3:27])[cH:20]1.[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[CH3:56][CH2:57][CH2:58][CH2:59][CH3:60].[F:3][c:4]1[c:5]([CH2:6][OH:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1.[H-:1].[Na+:2].[S:43]1(=[O:48])(=[O:49])[CH2:44][CH2:45][CH2:46][CH2:47]1>>[F:3][c:4]1[c:5]([CH2:6][O:7][c:17]2[cH:16][c:15]([C:13]#[N:14])[cH:20][c:19]([O:21][c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[n:25][n:26]3[CH3:27])[n:18]2)[cH:8][cH:9][c:10]([F:12])[cH:11]1