HRID1128530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

3 次

HCID6811

Phthalic anhydride

C8H4O3

HCID104727

Aluminum Cation

Al+3

HCID170708

1H-Indole, 2-methyl-1-octyl-

C17H25N

结构：CCn1c(C)c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c2ccccc21

HCID19763805

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCn1c(C)c(C(=O)c2ccccc2C(=O)O)c2ccccc21

HCID19763802

2-(2-Methyl-1-octyl-1H-indole-3-carbonyl)benzoic acid

C25H29NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e65f68f1a47d48979cfa4dda08b0a0b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Al+3:31].[CH2:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[n:20]1[c:21]([CH3:29])[cH:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12.[CH2:34]([n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[c:42]([C:43]([c:44]2[c:45]([Cl:46])[c:47]([Cl:48])[c:49]([Cl:50])[c:51]([Cl:52])[c:53]2[C:54]([OH:55])=[O:56])=[O:57])[c:58]1[CH3:59])[CH3:60].[Cl-:30].[Cl-:32].[Cl-:33].[O:1]=[C:2]1[O:3][C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[O:1]=[C:2]([OH:3])[c:11]1[c:6]([C:4](=[O:5])[c:22]2[c:21]([CH3:29])[n:20]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:28]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[cH:7][cH:8][cH:9][cH:10]1