HRID1116269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID7454

Ethanone, 2-bromo-1-(4-bromophenyl)-

C8H6Br2O

HCID8471

Triethylamine

C6H15N

HCID28486

Lithium ion

Li+

结构：COC(=O)C1CC(COC(F)F)CN1C(=O)OC(C)(C)C

HCID66620438

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(COC(F)F)CC1C(=O)OCC(=O)c1ccc(Br)cc1

HCID66788989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0149e2004cf4ba4a57dd73d51a3bac1
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

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