HRID800090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

HCID22324272

1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene

C8H5Br2F3

结构：CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2F)CC1

HCID58993620

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2F)CC1

HCID58993590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-482f451002c242fa86f7c002c5bb3bdb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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