HRID954396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

2 次

HCID19660

Carbonate

CO3-2

HCID2733986

3-Fluorophenylboronic acid

C6H6BFO2

结构：COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C(C)C

HCID20775768

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2cccc(F)c2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

HCID59752316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adb462ccd0e34e2fbac1c1f45c10baf0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[CH3:11][O:12][C:13](=[O:14])[c:15]1[s:16][c:17]([Br:33])[cH:18][c:19]1[N:20]([C:21](=[O:22])[CH:23]1[CH2:24][CH2:25][CH:26]([CH3:29])[CH2:27][CH2:28]1)[CH:30]([CH3:31])[CH3:32].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][OH:42].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[F:1][c:2]1[cH:3][c:4]([B:8]([OH:9])[OH:10])[cH:5][cH:6][cH:7]1.[Na+:47].[Na+:48].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[F:1][c:2]1[cH:3][c:4](-[c:17]2[s:16][c:15]([C:13]([O:12][CH3:11])=[O:14])[c:19]([N:20]([C:21](=[O:22])[CH:23]3[CH2:24][CH2:25][CH:26]([CH3:29])[CH2:27][CH2:28]3)[CH:30]([CH3:31])[CH3:32])[cH:18]2)[cH:5][cH:6][cH:7]1