HRID2320572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7918

Acetic anhydride

C4H6O3

HCID89715

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

C10H16N2

结构：CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1

HCID104335

Benzoic acid, 2-[4-(diethylamino)-2-methylbenzoyl]-

C19H21NO3

PRODUCTS

生成物

结构：CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3ccccc32)c(C)c1

HCID23343365

1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-

C29H35N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2446b69ad38a436285b733174ccc61eb
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

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