HRID1230510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

HCID58127962

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cc2nc(-c3ccccc3OCc3ccccc3)cs2)cc1

HCID58127863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-387d914bb83b48ebb015b74e8ee0cd43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[n:16][c:17]([CH2:20][OH:21])[s:18][cH:19]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:64]([OH:65])[CH3:66].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[CH3:36][O:37][C:38](=[O:39])[c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[CH3:60][C:61](=[O:62])[CH3:63].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[I-:35].[Na+:34].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:73]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[n:16][c:17]([CH2:20][c:43]3[cH:42][cH:41][c:40]([C:38]([O:37][CH3:36])=[O:39])[cH:45][cH:44]3)[s:18][cH:19]2)[cH:11][cH:12][cH:13][cH:14]1