HRID1568370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID303543

4-Chloropyridine-2-carboxamide

C6H5ClN2O

结构：CC1(C)OB(c2ccc3c(c2)CCC(CN(Cc2ccccc2)CC(COc2ccccc2)O[Si](C)(C)C(C)(C)C)O3)OC1(C)C

HCID178431011

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(COc1ccccc1)CN(Cc1ccccc1)CC1CCc2cc(-c3ccnc(C(N)=O)c3)ccc2O1

HCID20627909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd1b6882ce4841108a85b2f98493b6cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[O:15][CH:14]([CH2:19][N:20]([CH2:21][CH:22]([CH2:23][O:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:13][CH2:12]3)[O:46]1.[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:89][CH2:90][OH:91].[Cl:47][c:48]1[cH:49][c:50]([C:54](=[O:55])[NH2:56])[n:51][cH:52][cH:53]1.[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[O-:93][C:94]([CH3:95])=[O:96].[O-:97][C:98]([CH3:99])=[O:100].[Pd+2:92].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[c:9]1(-[c:48]2[cH:49][c:50]([C:54](=[O:55])[NH2:56])[n:51][cH:52][cH:53]2)[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][CH:14]([CH2:19][N:20]([CH2:21][CH:22]([CH2:23][O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH2:13][CH2:12]2