HRID204151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

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

HCID19382815

N~1~,N~1~,N~3~,N~3~-Tetraethylbenzene-1,3-diamine

C14H24N2

PRODUCTS

生成物

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

HCID54382194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99654ea139c942dd97fc495c572d05bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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