HRID1225550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID11776

Triphenylphosphine

C18H15P

HCID31275

1,4-Dioxane

C4H8O2

HCID905614

quinoxalin-2-ylmethanol

C9H8N2O

结构：Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)cc1

HCID136000177

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1

HCID11554407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6063f695e22946698d3c8de7b15b300d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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