HRID214227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID3806114

未命名化合物

结构：COC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccnc2c1

HCID10179908

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：Cc1cccc(-c2nn3c(c2-c2ccnc4cc(CCC(=O)N(C)C)ccc24)CCC3)n1

HCID10274004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aebbbd1832a04ea9b21819240e4bac93
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

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