HRID1136507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11644

Chloroiodomethane

CH2ClI

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：COC(=O)C(Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C

HCID20755993

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(=O)CCl

HCID20755996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8652caa7c55540599670a01fd98b1d4f
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

[C:38]([O:39][CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([F:13])[cH:9][c:10]([F:12])[cH:11]1)[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22].[CH3:27][CH:28]([N-:29][CH:30]([CH3:31])[CH3:32])[CH3:33].[CH3:34][C:35](=[O:36])[OH:37].[I:23][CH2:24][Cl:25].[Li+:26].[OH2:44]>>[C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([F:13])[cH:9][c:10]([F:12])[cH:11]1)[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])(=[O:22])[CH2:24][Cl:25]