HRID2312476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7918

Acetic anhydride

C4H6O3

HCID89715

1,3-Benzenediamine, N,N,N',N'-tetramethyl-

C10H16N2

结构：CCOc1cc(N(CC)CC)ccc1C(=O)c1ccccc1C(=O)O

HCID15519332

2-[4-(Diethylamino)-2-ethoxybenzoyl]benzoic acid

C20H23NO4

PRODUCTS

生成物

结构：CCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(C)C)cc2N(C)C)OC(=O)c2ccccc21

HCID23343363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2365d306827c42779067d781e8118182
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[c:8]2[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18][c:19]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:20]1.[CH3:26][N:27]([c:28]1[cH:29][c:30]([N:34]([CH3:35])[CH3:36])[cH:31][cH:32][cH:33]1)[CH3:37].[CH3:38][C:39]([O:40][C:41](=[O:42])[CH3:43])=[O:44].[ClH:45]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]2([c:31]3[c:30]([N:34]([CH3:35])[CH3:36])[cH:29][c:28]([N:27]([CH3:26])[CH3:37])[cH:33][cH:32]3)[O:7][C:10](=[O:11])[c:9]3[c:8]2[cH:16][cH:15][cH:14][cH:13]3)[cH:17][cH:18][c:19]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:20]1