HRID198331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：COCN1c2cc(C(O[Si](C)(C)C(C)(C)C)c3cccc(Br)n3)ccc2Sc2nccnc21

HCID18670524

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1cccc(C(O[Si](C)(C)C(C)(C)C)c2ccc3c(c2)N(COC)c2nccnc2S3)n1

HCID69885362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d2f9172a2e4608b346cd1225633366
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:25]2)[N:14]([CH2:22][O:23][CH3:24])[c:15]2[c:16]([n:18][cH:19][cH:20][n:21]2)[S:17]3)[O:26][Si:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[CH3:33])[n:7]1.[C:34]([CH:35]=[CH2:36])(=[O:37])[O:38][CH2:39][CH3:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH2:87].[Pd+2:72].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1([CH:36]=[CH:35][C:34](=[O:37])[O:38][CH2:39][CH3:40])[cH:3][cH:4][cH:5][c:6]([CH:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:25]2)[N:14]([CH2:22][O:23][CH3:24])[c:15]2[c:16]([n:18][cH:19][cH:20][n:21]2)[S:17]3)[O:26][Si:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[CH3:33])[n:7]1