Ethanol → HCID 15452561, compound
Reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:101][CH2:102][OH:103].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:46](=[CH:47][C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:64](=[CH:65][C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)=[O:75])[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH:82](=[CH:83][C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)=[O:93])[c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Cl:1][c:2]1[c:3](-[n:10]2[n:11][c:12]([C:16]#[N:17])[cH:13][c:14]2[NH2:15])[c:4]([Cl:9])[cH:5][c:6]([Br:8])[cH:7]1.[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1)([F:29])[F:30].[Na+:35].[Na+:36].[OH2:100].[Pd:44].[Pd:45]>>[Cl:1][c:2]1[c:3](-[n:10]2[n:11][c:12]([C:16]#[N:17])[cH:13][c:14]2[NH2:15])[c:4]([Cl:9])[cH:5][c:6](-[c:23]2[cH:22][cH:21][c:20]([C:19]([F:18])([F:29])[F:30])[cH:25][cH:24]2)[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-e69deb489b334d6aa9b8647ead6d9a92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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