HRID2342493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C1(c2cc(Cl)c(OCC(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)c2)CCC(C)(C)CC1

HCID57995618

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C(=O)O)(c2cc(Cl)c(OCC(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)c2)CC1

HCID57995636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88f9ced44d7b471598943917b21738aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:40][OH:41].[Cl:1][c:2]1[cH:3][c:4]([C:24]2([C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:25][CH2:26][C:27]([CH3:30])([CH3:31])[CH2:28][CH2:29]2)[cH:5][c:6](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[Li+:39].[OH-:38].[OH2:37].[OH2:47]>>[Cl:1][c:2]1[cH:3][c:4]([C:24]2([C:32](=[O:33])[OH:34])[CH2:25][CH2:26][C:27]([CH3:30])([CH3:31])[CH2:28][CH2:29]2)[cH:5][c:6](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]