HRID679629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

2 次

HCID1099

Sulfite

O3S-2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID4251849

Di-tert-butyl N,N-diethylphosphoramidite

C12H28NO2P

结构：Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nnc(CO)n21

HCID25026694

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nnc(COP(=O)(OC(C)(C)C)OC(C)(C)C)n21

HCID86638628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78ffec60668a4ff996a449ddc33244bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:40]([N:41]([CH2:42][CH3:54])[P:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH3:55].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([n:11]([CH2:23][c:24]4[c:25]([CH3:34])[n:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[c:12](=[O:22])[c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]2)[c:35]([CH2:38][OH:39])[n:36][n:37]3)[cH:6][cH:7]1.[Cl:67][CH2:68][CH2:69][Cl:70].[Na+:65].[Na+:66].[S:61](=[O:62])([O-:63])[O-:64].[nH:56]1[cH:57][n:58][cH:59][n:60]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([n:11]([CH2:23][c:24]4[c:25]([CH3:34])[n:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[c:12](=[O:22])[c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]2)[c:35]([CH2:38][O:39][P:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:62])[n:36][n:37]3)[cH:6][cH:7]1