HRID86001

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：CC1(CC2Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2=O)CCCCC1

HCID58444081

未命名化合物

PRODUCTS

生成物

结构：CC1(CC2=Cc3cccc(-c4ccc(C(C)(C)C)cc4)c3C2)CCCCC1

HCID58444098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7f8bc3a8b146a48146706658f35a0e
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

[BH4-:29].[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([CH3:28])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:13]3)[cH:9][cH:10]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:43][OH:44].[Na+:30].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[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([CH3:28])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:13]3)[cH:9][cH:10]1