HRID1557467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)c(C)c1

HCID11362843

N-[4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide

C26H23ClN2O3

PRODUCTS

生成物

结构：CCOC(=O)C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21

HCID54237705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b39a51c74018400ebbf9eee275538ee7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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