HRID2333699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

反应SMILES：COc1c(C)c(C)c2c(c1C)C(=O)C1(CCC1)CN2c1ccc(Cl)cc1

HCID69056792

未命名化合物

PRODUCTS

产物

HCID69054405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9bdae29ac7884332ab855f3ca72c66c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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