Ethanol → HCID 21905279, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:24])[c:5]([CH:9]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[O:22][CH3:23])[c:6]([F:8])[cH:7]1.[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][CH2:47][OH:48].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:49].[OH:25][B:26]([OH:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[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:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:3][c:4]([F:24])[c:5]([CH:9]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[O:22][CH3:23])[c:6]([F:8])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-9ea5ca63bc2246c28183a2a98ead2733
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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