HRID940466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID166653

Hydride

H-

结构：CC(SC1COC(C=CC=Cc2ccc(C#N)cc2F)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID73887010

未命名化合物

PRODUCTS

生成物

结构：CC(SC1COC(C=CC=Cc2ccc(C#N)cc2F)OC1)C(Cn1cncn1)(OC(=O)n1ccnc1)c1ccc(F)cc1F

HCID72452152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad5242a3a9cc44d4acb76c5a52e63bee
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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