HRID1224466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7503

Benzyl chloride

C7H7Cl

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

结构：O=c1[nH]c(=O)n(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F

HCID277078

1-(2-deoxy-5-o-tritylpentofuranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione

C28H25FN2O5

PRODUCTS

生成物

结构：O=c1[nH]c(=O)n(C2CC(OCc3ccccc3)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F

HCID178518729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74a8dbac65774b199410d69c8edd6ee9
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([OH:36])[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([F:35])[cH:34]2)[O:26]1.[CH3:56][C:57](=[O:58])[OH:59].[Cl:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[I-:48].[K+:46].[Na+:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:45].[OH2:55]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([O:36][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([F:35])[cH:34]2)[O:26]1