HRID1121553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：COC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)c1C

HCID67251895

1H-Pyrrole-3-carboxylic acid, 4-methyl-5-[2-(trifluoromethyl)phenyl]-, methyl ester

C14H12F3NO2

结构：COC(=O)c1cn(C)c(-c2ccccc2C(F)(F)F)c1C

HCID67253051

未命名化合物

PRODUCTS

生成物

HCID67252161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2927e1217dc649b2900829991f22a825
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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