HRID1122703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(C(=O)[O-])N1CC(c2ccccc2Br)c2cc(Cl)ccc2C(CC(C)C)C1=O

HCID178454753

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC1C(=O)N(CC(=O)O)CC(c2ccccc2Br)c2cc(Cl)ccc21

HCID59025465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-519833210fae4d88aa3ca5ed9023db59
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

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