HRID1237344

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)C(CC1CC1)c1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995526

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(CC1CC1)c1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdb01cb96fb34befa311c030ed5bf2d6
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:37][OH:38].[Cl:1][c:2]1[cH:3][c:4]([CH:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:30][CH:31]2[CH2:32][CH2:33]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+:36].[OH-:35].[OH2:34].[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH:24]([C:25](=[O:26])[OH:27])[CH2:30][CH:31]2[CH2:32][CH2:33]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]