Acetic Acid → HCID 68456363, compound
Reaction equation
[C:47]([BH3-:48])#[N:49].[CH2:26]([CH3:27])[O:28][c:29]1[c:30](-[c:40]2[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]2)[c:31]([O:37][CH2:38][CH3:39])[cH:32][c:33]([CH:35]=[O:36])[cH:34]1.[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][O:7][c:8]1[cH:9][c:10]([O:23][CH3:24])[cH:11][c:12]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)=[O:22])[cH:13]1)=[O:25].[CH2:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[CH3:59].[CH3:60][CH2:61][OH:62].[CH3:63][C:64](=[O:65])[OH:66].[ClH:1].[Na+:50]>>[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][O:7][c:8]1[cH:9][c:10]([O:23][CH3:24])[cH:11][c:12]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:35][c:33]3[cH:32][c:31]([O:37][CH2:38][CH3:39])[c:30](-[c:40]4[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]4)[c:29]([O:28][CH2:26][CH3:27])[cH:34]3)[CH2:20][CH2:21]2)=[O:22])[cH:13]1)=[O:25]Participants
9
Sources & evidence
- ORD record
- ord-98ddd9636291441dbe71a1c7789fe44f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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