HRID159558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2359

2-benzothienylboronic acid

C8H7BO2S

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)C=C(CCCCCCc1ccc2c(n1)NCCC2)OS(=O)(=O)C(F)(F)F

HCID54554919

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=C(CCCCCCc1ccc2c(n1)NCCC2)c1cc2ccccc2s1

HCID54055743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4330a8ecc8b94ffc86389ebeb2025dfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]=[C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[n:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH2:20][CH2:19][NH:18]2)[O:25][S:26]([C:27]([F:28])([F:29])[F:30])(=[O:31])=[O:32])=[O:33].[C:46](=[O:47])([O-:48])[O-:49].[C:52](=[O:53])([O-:54])[OH:55].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[K+:50].[K+:51].[Na+:56].[s:34]1[c:35]2[c:36]([cH:37][c:38]1[B:39]([OH:40])[OH:41])[cH:42][cH:43][cH:44][cH:45]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]=[C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[n:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH2:20][CH2:19][NH:18]2)[c:38]1[s:34][c:35]2[c:36]([cH:37]1)[cH:42][cH:43][cH:44][cH:45]2)=[O:33]