HRID99805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6479

1,3-Dibromo-5,5-dimethylhydantoin

C5H6Br2N2O2

HCID8058

n-Hexane

C6H14

结构：CC(CCCC(C)(O)CO)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C

HCID178444133

未命名化合物

PRODUCTS

生成物

结构：CC(CCCC(C)(O)CO)C1CCC2C3C(Br)C=C4CC(O)CC(O)C4(C)C3CCC12C

HCID178444131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd4924e249fe4ff0a5d57dbbe14d3935
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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