HRID1143777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID28123

Tetrahydroborate

H4B-

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

HCID69054405

未命名化合物

PRODUCTS

产物

反应SMILES：COc1c(C)c(C)c2c(c1C)CC1(CCC1)CN2c1ccc(Cl)cc1

HCID69053293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0aedeac8dd93442da726d53c3d54727d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[BH4-:12].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH2:58]([O:59][C:60](=[O:61])[CH3:62])[CH3:63].[CH3:1][C:2](=[O:3])[OH:4].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl:14][c:15]1[cH:16][cH:17][c:18]([N:21]2[CH2:22][C:23]3([CH2:24][CH2:25][CH2:26]3)[CH:27]([OH:39])[c:28]3[c:29]([CH3:38])[c:30]([O:36][CH3:37])[c:31]([CH3:35])[c:32]([CH3:34])[c:33]32)[cH:19][cH:20]1.[Na+:13].[OH2:57].[OH:5][C:6]([C:7]([F:8])([F:9])[F:10])=[O:11]>>[Cl:14][c:15]1[cH:16][cH:17][c:18]([N:21]2[CH2:22][C:23]3([CH2:24][CH2:25][CH2:26]3)[CH2:27][c:28]3[c:29]([CH3:38])[c:30]([O:36][CH3:37])[c:31]([CH3:35])[c:32]([CH3:34])[c:33]32)[cH:19][cH:20]1