Ethanol → HCID 178422034, compound
Reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:51][CH2:52][OH:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:28])[N:15]([CH2:19][c:20]3[n:21][c:22]([Cl:27])[cH:23][cH:24][c:25]3[Br:26])[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[F:31][c:32]1[c:33]([B:41]([OH:42])[OH:43])[cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]1.[Na+:48].[Na+:49].[OH2:50].[Pd:61].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:119]1([P:120]([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134][cH:135][cH:136][cH:137]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:28])[N:15]([CH2:19][c:20]3[n:21][c:22]([Cl:27])[cH:23][cH:24][c:25]3-[c:33]3[c:32]([F:31])[cH:37][cH:36][c:35]([N+:38](=[O:39])[O-:40])[cH:34]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]Participants
10
Sources & evidence
- ORD record
- ord-45a97363cab64555a2ec70d3d946b9b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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