HRID1137091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708926

未命名化合物

结构：COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1

HCID67065142

Methyl [(tert-butoxycarbonyl)amino](4-chlorophenyl)acetate

C14H18ClNO4

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(C(NC(=O)OC(C)(C)C)C(=O)OC)cc2)c(C)c1

HCID178442134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c452b5911b5476fb6f2ead8d4fb7371
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1.[CH3:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[CH3:44][O:45][C:46]([CH:47]([c:48]1[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]1)[NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63].[CH:64]1([P:65]([CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2-[c:78]2[c:79]([O:80][CH3:81])[cH:82][cH:83][cH:84][c:85]2[O:86][CH3:87])[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92]1.[K+:100].[K+:98].[K+:99].[O-:102][C:103]([CH3:104])=[O:105].[O-:106][C:107]([CH3:108])=[O:109].[OH2:110].[P:93]([O-:94])([O-:95])([O-:96])=[O:97].[Pd+2:101]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28](-[c:51]3[cH:50][cH:49][c:48]([CH:47]([C:46]([O:45][CH3:44])=[O:63])[NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[cH:53][cH:52]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1