HRID88223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID31275

1,4-Dioxane

C4H8O2

HCID197148

Chlorite

ClO2-

结构：C=CCOC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OCC=C)c3C=O)c(F)c2)cc1

HCID86617403

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OCC=C)c3C(=O)O)c(F)c2)cc1

HCID67118977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66c14b74c34146c1b51dae92a18cdb7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:63]([OH:64])([CH3:65])([CH3:66])[CH3:67].[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([CH:48]=[O:49])[c:18]([CH2:19][O:20][c:21]2[c:22]([F:40])[cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47].[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:50][C:51](=[CH:52][CH3:53])[CH3:54].[Cl+:1]([O-:2])[O-:3].[ClH:62].[Na+:11].[Na+:4].[Na+:60].[Na+:61].[OH2:5].[P:6]([O-:7])([OH:8])([OH:9])=[O:10].[S:55]([O-:56])(=[O:57])([O-:58])=[S:59]>>[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([C:48](=[O:49])[OH:57])[c:18]([CH2:19][O:20][c:21]2[c:22]([F:40])[cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47]