HRID952411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：COC1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)OC(C=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178486338

未命名化合物

PRODUCTS

生成物

结构：COC1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)OC(C=O)(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178486340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6722a8843ed346339701e8956f8d7cbb
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

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