HRID1211890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：CC(C)(C)OC(=O)N1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

HCID10091216

tert-Butyl 6-[(trifluoromethanesulfonyl)oxy]-3,4-dihydroisoquinoline-2(1H)-carboxylate

C15H18F3NO5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cc(-c3ccsc3)ccc2C1

HCID69734195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dab5e4eae3f84fabb96e8c15e979b3b5
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

[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][c:40]2[cH:41][cH:42][c:43]([O:48][S:49]([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55])[cH:44][c:45]2[CH2:46][CH2:47]1.[C:77](=[O:78])([OH:79])[O-:80].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:82][CH2:83][OH:84].[Na+:64].[Na+:65].[Na+:81].[O-:66][C:67](=[O:68])[O-:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1.[s:56]1[cH:57][c:58]([B:61]([OH:62])[OH:63])[cH:59][cH:60]1>>[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][c:40]2[cH:41][cH:42][c:43](-[c:58]3[cH:57][s:56][cH:60][cH:59]3)[cH:44][c:45]2[CH2:46][CH2:47]1