HRID92037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID3977284

4-Octyloxyphenylboronic acid

C14H23BO3

HCID19387533

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2cnc(OCCCCCCCC)c(F)c2)cc1

HCID19387539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcfc67f375624c3fab0a73e92cc68d6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[n:6][cH:7]1.[CH2:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[O:26][c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[CH3:42][CH2:43][OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:52]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([O:26][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:32][cH:31]2)[cH:3][c:4]([F:17])[c:5]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[n:6][cH:7]1