HRID2163108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：Cc1cc(C(O)(C(C)c2ccc(Oc3ccc(C=O)c(C(F)(F)F)c3)cc2Cl)C(F)(F)F)cn(C)c1=O

HCID86645956

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(O)(C(C)c2ccc(Oc3ccc(C(=O)O)c(C(F)(F)F)c3)cc2Cl)C(F)(F)F)cn(C)c1=O

HCID72310555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be59b052af984f33921e1e7dab3dace5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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