HRID2311164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl

HCID59165796

未命名化合物

结构：CC1(C)OB(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)OC1(C)C

HCID59166315

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：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID59165904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdd993b3db084903be6c9f531dd78397
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[O-:60].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:26][c:27]1[c:28]([CH3:50])[cH:29][cH:30][c:31]([NH:33][C:34](=[O:35])[C:36]2([c:39]3[cH:40][c:41]4[c:42]([cH:48][cH:49]3)[O:43][C:44]([F:46])([F:47])[O:45]4)[CH2:37][CH2:38]2)[n:32]1.[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([B:15]2[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]2)[cH:13][cH:14]1)([F:24])[F:25].[Na+:61].[Na+:62].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12](-[c:27]2[c:28]([CH3:50])[cH:29][cH:30][c:31]([NH:33][C:34](=[O:35])[C:36]3([c:39]4[cH:40][c:41]5[c:42]([cH:48][cH:49]4)[O:43][C:44]([F:46])([F:47])[O:45]5)[CH2:37][CH2:38]3)[n:32]2)[cH:13][cH:14]1)([F:24])[F:25]