Acetic Acid → HCID 68749078, compound
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:56]([CH3:57])([CH3:58])([CH3:59])[O:60][C:61](=[O:62])[N:63]1[CH:64]([CH2:68][NH:69][CH2:70][c:71]2[cH:72][cH:73][c:74]([F:77])[cH:75][cH:76]2)[CH2:65][CH2:66][CH2:67]1.[CH3:15][C:16](=[O:17])[OH:18].[Cl:78][CH:79]([Cl:80])[CH3:81].[Cl:82][CH2:83][Cl:84].[F:19][c:20]1[c:21]([CH:54]=[O:55])[cH:22][c:23](-[c:26]2[cH:27][c:28]3[c:29]([n:30]([C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[n:31][n:32]3)[cH:52][cH:53]2)[cH:24][cH:25]1.[Na+:14]>>[F:19][c:20]1[c:21]([CH2:54][N:69]([CH2:68][CH:64]2[N:63]([C:61]([O:60][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:62])[CH2:67][CH2:66][CH2:65]2)[CH2:70][c:71]2[cH:72][cH:73][c:74]([F:77])[cH:75][cH:76]2)[cH:22][c:23](-[c:26]2[cH:27][c:28]3[c:29]([n:30]([C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[n:31][n:32]3)[cH:52][cH:53]2)[cH:24][cH:25]1Participants
8
Sources & evidence
- ORD record
- ord-b692c9119b3b4cd9aa7dca4886588600
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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