HRID141853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19354

Methyl vinyl sulfone

C3H6O2S

HCID23938

Palladium

HCID17789887

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C)(C)c2cc(C=CS(C)(=O)=O)c(C=O)cc21

HCID59898707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3181bd46d0d4d47969d2398d879a712
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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