HRID1220386

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

HCID7412

Benzoyl chloride

C7H5ClO

结构：Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1

HCID19690071

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1)c1ccccc1

HCID19689810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9d1f48851814de0839a5610a345659e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:47])[Cl:48].[C:49](=[O:50])([OH:51])[O-:52].[CH2:54]([Cl:55])[Cl:56].[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+:53].[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:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47]