HRID1143081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID12380

Octane, 1-iodo-

C8H17I

HCID9834010

未命名化合物

HCID11529316

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1cnc(-c2ccc(CCCCCCCC)cc2)nc1

HCID14533391

5-(Octyloxy)-2-(4-octylphenyl)pyrimidine

C26H40N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d8a1095923648f489726310bf55c8a0
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

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