HRID666934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8140

1-Bromooctane

C8H17Br

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1

HCID3126238

Pyridine, 5-octyl-2-[4-(octyloxy)phenyl]-

C27H41NO

HCID178506738

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)c[n+]2[O-])cc1

HCID54368283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22ed23fa6f754f96ae3b2edcd443b1a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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