HRID2321677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID11487

Diphenylamine

C12H11N

HCID19660

Carbonate

CO3-2

HCID23978

Copper

HCID112414

Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]-

C15H33NO6

结构：CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(I)cc21

HCID22723476

2-Bromo-9,9-didecyl-7-iodo-9H-fluorene

C33H48BrI

PRODUCTS

生成物

结构：CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

HCID22723477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2489446de5cc4ff099f2511979943ef3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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