HRID2315058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID21110462

未命名化合物

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：C=CCOP(=O)(OCC=C)OCCC(C)(C)C(=O)OC(Cn1cncn1)(c1ccc(F)cc1F)C(C)SC1COC(C=CC=Cc2ccc(C#N)cc2F)OC1

HCID72452164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-154f1cd22f9a4881aed1d76420218ef3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:41]([CH:42]=[CH2:43])[O:44][P:45](=[O:46])([O:47][CH2:48][CH:49]=[CH2:50])[O:51][CH2:52][CH2:53][C:54]([CH2:55][Cl:56])([CH3:57])[CH3:58].[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-:39].[Na+:40].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[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:55]([C:54]([CH2:53][CH2:52][O:51][P:45]([O:44][CH2:41][CH:42]=[CH2:43])(=[O:46])[O:47][CH2:48][CH:49]=[CH2:50])([CH3:57])[CH3:58])=[O:59])[cH:4][cH:5][c:6]([F:8])[cH:7]1