HRID1218359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7891

1-Bromo-3-methylbutane

C5H11Br

HCID8028

Tetrahydrofuran

C4H8O

HCID5462224

Magnesium

HCID178445860

未命名化合物

结构：CC(C=O)C1CCC2C3=CC=C4CC(OC5CCCCO5)CC(OC5CCCCO5)C4(C)C3CCC21C

HCID178458141

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCC(O)C(C)C1CCC2C3=CC=C4CC(OC5CCCCO5)CC(OC5CCCCO5)C4(C)C3CCC21C

HCID178444983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dfdfe89a5ec4496841d4f92131ecd4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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