HRID2158372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID8657

o-Diethylbenzene

C10H14

结构：CC(=O)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1

HCID59793205

未命名化合物

PRODUCTS

生成物

结构：c1ccc(N(c2ccc(-c3ccc(-c4ccc(Nc5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc3ccccc23)cc1

HCID59793193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a6478b5731d48d7bf8f2e1ac1290685
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:77]([c:78]1[cH:79][cH:80][cH:81][cH:82][c:83]1[CH2:84][CH3:85])[CH3:86].[CH3:88][CH2:89][CH2:90][CH2:91][CH2:92][CH3:93].[K+:76].[OH-:75].[OH2:87].[c:1]1([N:7]([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17](-[c:20]4[cH:21][cH:22][c:23]([N:26]([C:27](=[O:28])[CH3:29])[c:30]5[cH:31][cH:32][c:33](-[c:36]6[cH:37][cH:38][c:39](-[c:42]7[cH:43][cH:44][c:45]([N:48]([c:49]8[cH:50][cH:51][cH:52][cH:53][cH:54]8)[c:55]8[cH:56][cH:57][cH:58][c:59]9[cH:60][cH:61][cH:62][cH:63][c:64]89)[cH:46][cH:47]7)[cH:40][cH:41]6)[cH:34][cH:35]5)[cH:24][cH:25]4)[cH:18][cH:19]3)[cH:12][cH:13]2)[c:65]2[cH:66][cH:67][cH:68][c:69]3[cH:70][cH:71][cH:72][cH:73][c:74]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17](-[c:20]4[cH:21][cH:22][c:23]([NH:26][c:30]5[cH:31][cH:32][c:33](-[c:36]6[cH:37][cH:38][c:39](-[c:42]7[cH:43][cH:44][c:45]([N:48]([c:49]8[cH:50][cH:51][cH:52][cH:53][cH:54]8)[c:55]8[cH:56][cH:57][cH:58][c:59]9[cH:60][cH:61][cH:62][cH:63][c:64]89)[cH:46][cH:47]7)[cH:40][cH:41]6)[cH:34][cH:35]5)[cH:24][cH:25]4)[cH:18][cH:19]3)[cH:12][cH:13]2)[c:65]2[cH:66][cH:67][cH:68][c:69]3[cH:70][cH:71][cH:72][cH:73][c:74]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1