HRID2122258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID59548268

未命名化合物

HCID59548367

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：Cc1nc(-c2cc(C3OCCO3)cnc2F)c2ncn(C3CCCCO3)c2n1

HCID66611486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2393facf473646af8bab3c0f2700afb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:41]([PH:42]([Pd:43]([PH:44]([c:45]1[cH:46][cH:47][c:48]([N:49]([CH3:50])[CH3:51])[cH:52][cH:53]1)([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61])([Cl:62])[Cl:63])([C:64]([CH3:65])([CH3:66])[CH3:67])[c:68]1[cH:69][cH:70][c:71]([N:72]([CH3:73])[CH3:74])[cH:75][cH:76]1)([CH3:77])([CH3:78])[CH3:79].[CH3:34][C:35](=[O:36])[O-:37].[CH3:38][CH2:39][OH:40].[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.[K+:33].[O:18]1[CH:19]([c:23]2[cH:24][c:25]([B:30]([OH:31])[OH:32])[c:26]([F:29])[n:27][cH:28]2)[O:20][CH2:21][CH2:22]1>>[c:2]1(-[c:25]2[cH:24][c:23]([CH:19]3[O:18][CH2:22][CH2:21][O:20]3)[cH:28][n:27][c:26]2[F:29])[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