HRID287091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID59548268

未命名化合物

HCID59548347

未命名化合物

结构：CN(C)c1ccc([PH](C(C)(C)C)(C(C)(C)C)[Pd](Cl)(Cl)[PH](c2ccc(N(C)C)cc2)(C(C)(C)C)C(C)(C)C)cc1

HCID178482906

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cnc(F)c(-c2nc(C)nc3c2ncn3C2CCCCO2)c1

HCID59548434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b67c93dfa23d4d9a9ad6859bdaef94d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:39]([PH:40]([Pd:41]([PH:42]([c:43]1[cH:44][cH:45][c:46]([N:47]([CH3:48])[CH3:49])[cH:50][cH:51]1)([C:52]([CH3:53])([CH3:54])[CH3:55])[C:56]([CH3:57])([CH3:58])[CH3:59])([Cl:60])[Cl:61])([C:62]([CH3:63])([CH3:64])[CH3:65])[c:66]1[cH:67][cH:68][c:69]([N:70]([CH3:71])[CH3:72])[cH:73][cH:74]1)([CH3:75])([CH3:76])[CH3:77].[CH3:31][C:32](=[O:33])[O-:34].[CH3:36][CH2:37][OH:38].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:7]2[n:8][c:9]([CH3:11])[n:10]1.[F:18][c:19]1[n:20][cH:21][c:22]([CH:28]=[CH2:29])[cH:23][c:24]1[B:25]([OH:26])[OH:27].[K+:30].[OH2:35]>>[c:2]1(-[c:24]2[c:19]([F:18])[n:20][cH:21][c:22]([CH:28]=[CH2:29])[cH:23]2)[c:3]2[n:4][cH:5][n:6]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:7]2[n:8][c:9]([CH3:11])[n:10]1