HRID1217087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID14516

(+/-)-(Methylsulfinyl)benzene

C7H8OS

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID61668

Boronic acid

H3BO2

HCID11681546

2-(4-Bromo-phenyl)-5-methyl-4-(2-pyrrolidin-1-yl-ethyl)-oxazole

C16H19BrN2O

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(-c3ccc(S(C)=O)cc3)cc2)nc1CCN1CCCC1

HCID11668365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa2238e9e3fc4762bdf628bd64f376e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH:27]([OH:28])[OH:29].[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:20])[c:11]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[n:12]2)[cH:6][cH:7]1.[CH3:30][S:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:47][CH2:48][OH:49].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[OH2:46].[Pd:50].[c:108]1([P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123][cH:124][cH:125][cH:126]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([S:31]([CH3:30])=[O:32])[cH:38][cH:37]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:20])[c:11]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[n:12]2)[cH:6][cH:7]1