HRID1573289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID28123

Tetrahydroborate

H4B-

结构：CCC1(CC2Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2=O)CCCCC1

HCID58444072

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC2=Cc3cccc(-c4ccc(C(C)(C)C)cc4)c3C2)CCCCC1

HCID58444074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-207674ebaaa94b609e03060d72618d47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:30].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[C:15](=[O:20])[CH:14]([CH2:21][C:22]2([CH2:28][CH3:29])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:13]3)[cH:9][cH:10]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:44][OH:45].[Na+:31].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[CH:15]=[C:14]([CH2:21][C:22]2([CH2:28][CH3:29])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:13]3)[cH:9][cH:10]1