HRID664771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1004

Phosphoric acid

H3O4P

HCID2724942

未命名化合物

HCID3146743

3-Phenylpyrrolidine

C10H13N

HCID56851422

6-(4-Formylphenoxy)pyridine-3-carboxamide

C13H10N2O3

PRODUCTS

生成物

结构：NC(=O)c1ccc(Oc2ccc(CN3CCC(c4ccccc4)C3)cc2)nc1

HCID59730333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce8b9e0d257c414f81f72c7c8a7e3672
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

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:17][OH:18].[CH3:52][C:53](=[O:54])[OH:55].[CH:20](=[O:21])[c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[n:28][cH:29][c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35]2)[cH:36][cH:37]1.[Cl:56][CH2:57][CH2:58][Cl:59].[NH3:19].[Na+:51].[P:1](=[O:2])([OH:3])([OH:4])[OH:5].[c:6]1([CH:12]2[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([CH:12]2[CH2:13][N:14]([CH2:20][c:22]3[cH:23][cH:24][c:25]([O:26][c:27]4[n:28][cH:29][c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35]4)[cH:36][cH:37]3)[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10][cH:11]1