HRID303745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID8471

Triethylamine

C6H15N

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID28123

Borohydride

BH4-

HCID9881972

未命名化合物

PRODUCTS

产物

HCID9838008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a49f18a8aa8e43bf88a2b078093c5feb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[BH4-:1].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH:11]2[CH:12]([C:19](=[O:20])[O:21][CH3:22])[C:13](=[O:18])[CH2:14][CH:15]1[CH2:16][CH2:17]2.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[CH3:59][OH:60].[Cl-:23].[F:30][C:31]([F:32])([F:33])[C:34]([O:35][C:36](=[O:37])[C:38]([F:39])([F:40])[F:41])=[O:42].[NH4+:24].[Na+:25].[Na+:2].[OH:26][C:27](=[O:28])[O-:29]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH:11]2[C:12]([C:19](=[O:20])[O:21][CH3:22])=[CH:13][CH2:14][CH:15]1[CH2:16][CH2:17]2