HRID178421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID19690071

未命名化合物

PRODUCTS

产物

HCID19689922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-59c2578c207b43ada2eea5b51e226c14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:47](=[O:48])([OH:49])[O-:50].[CH2:52]([Cl:53])[Cl:54].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][n:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([C:23]([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)=[O:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1.[Na+:51].[OH:40][C:41](=[O:42])[C:43]([F:44])([F:45])[F:46].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][n:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([C:23]([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)=[O:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1)[C:41](=[O:40])[C:43]([F:44])([F:45])[F:46]