HRID1561432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7918

Acetic anhydride

C4H6O3

HCID89715

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

C10H16N2

结构：CCN(CC)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(C)c1

HCID104336

Benzoic acid, 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]-

C19H17Cl4NO3

PRODUCTS

生成物

结构：CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(C)c1

HCID103705

1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-

C29H31Cl4N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2b35a32c334322b8117dd21f8df59a
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

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7]([C:8](=[O:9])[OH:10])[c:11]([Cl:18])[c:12]([Cl:17])[c:13]([Cl:16])[c:14]2[Cl:15])[cH:19][cH:20][c:21]([N:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[cH:22]1.[CH3:28][N:29]([c:30]1[cH:31][c:32]([N:36]([CH3:37])[CH3:38])[cH:33][cH:34][cH:35]1)[CH3:39].[CH3:40][C:41]([O:42][C:43](=[O:44])[CH3:45])=[O:46].[ClH:47].[OH2:48]>>[CH3:1][c:2]1[c:3]([C:4]2([c:33]3[c:32]([N:36]([CH3:37])[CH3:38])[cH:31][c:30]([N:29]([CH3:28])[CH3:39])[cH:35][cH:34]3)[O:5][C:8](=[O:9])[c:7]3[c:6]2[c:14]([Cl:15])[c:13]([Cl:16])[c:12]([Cl:17])[c:11]3[Cl:18])[cH:19][cH:20][c:21]([N:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[cH:22]1