HRID2128336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：COC(=O)C1CCCc2ccc(OCc3ccc(C)cc3)cc2C1=O

HCID22990087

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=Cc2cc(OCc3ccc(C)cc3)ccc2CCC1

HCID22990047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18941351ed1443bb9bb9cdf410a590e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:26].[CH2:40]1[CH2:41][CH2:42][C:43]2=[N:48][CH2:47][CH2:46][CH2:45][N:44]2[CH2:49][CH2:50]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[c:11]([cH:22][cH:23]2)[CH2:12][CH2:13][CH2:14][CH:15]([C:18](=[O:19])[O:20][CH3:21])[C:16]3=[O:17])[cH:24][cH:25]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][S:36](=[O:37])(=[O:38])[Cl:39].[CH3:54][OH:55].[Cl:51][CH2:52][Cl:53].[Na+:27].[OH2:56]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[c:11]([cH:22][cH:23]2)[CH2:12][CH2:13][CH2:14][C:15]([C:18](=[O:19])[O:20][CH3:21])=[CH:16]3)[cH:24][cH:25]1