HRID671138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28123

Tetrahydroborate

H4B-

结构：CC1(C)CCC(C)(C)c2cc(OCc3ccc(C(=O)O)cc3)ccc21

HCID14850578

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C)(C)c2cc(OCc3ccc(CO)cc3)ccc21

HCID14850582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cb1cbbc1ced4a5ebff3a1ddc3accc95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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