HRID140453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6497

Dimethyl sulfate

C2H6O4S

HCID19660

Carbonate

CO3-2

HCID28123

Tetrahydroborate

H4B-

结构：COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1

HCID73197847

未命名化合物

结构：COc1cc(C=C(C(=O)O)c2ccc(Oc3ccc(C=O)cc3)cc2)cc(OC)c1

HCID73856337

未命名化合物

PRODUCTS

生成物

HCID68790209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58fd6e35d9cd490daa7c988fbfd1a34b
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

[BH4-:75].[CH3:1][O:2][C:3]([C:4](=[CH:5][c:6]1[cH:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[cH:11]1)[c:16]1[cH:17][cH:18][c:19]([O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]2)[cH:20][cH:21]1)=[O:31].[CH3:32][O:33][c:34]1[cH:35][c:36]([CH:37]=[C:38]([c:39]2[cH:40][cH:41][c:42]([O:43][c:44]3[cH:45][cH:46][c:47]([CH:48]=[O:49])[cH:50][cH:51]3)[cH:52][cH:53]2)[C:54]([OH:55])=[O:56])[cH:57][c:58]([O:59][CH3:60])[cH:61]1.[CH3:68][O:69][S:70]([O:71][CH3:72])(=[O:73])=[O:74].[CH3:77][CH2:78][OH:79].[K+:62].[K+:63].[Na+:76].[O-:64][C:65]([O-:66])=[O:67].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84]>>[CH3:1][O:2][C:3]([C:4](=[CH:5][c:6]1[cH:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[cH:11]1)[c:16]1[cH:17][cH:18][c:19]([O:22][c:23]2[cH:24][cH:25][c:26]([CH2:29][OH:30])[cH:27][cH:28]2)[cH:20][cH:21]1)=[O:31]