Acetic Acid → HCID 22744184, compound
Reaction equation
[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:1][S:2]([CH3:3])=[O:4].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:52][C:53](=[O:54])[OH:55].[Cl:5][C:6]([C:7]([Cl:8])=[O:9])=[O:10].[Cl:70][CH2:71][Cl:72].[NH2:40][CH2:41][CH:42]([CH2:43][O:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[OH:51].[Na+:69].[OH:11][CH2:12][CH:13]1[O:14][c:15]2[cH:16][cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[cH:19][c:20]2[CH2:21][CH2:22]1>>[CH2:6]([CH:13]1[O:14][c:15]2[cH:16][cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[cH:19][c:20]2[CH2:21][CH2:22]1)[NH:40][CH2:41][CH:42]([CH2:43][O:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[OH:51]Participants
10
Sources & evidence
- ORD record
- ord-b6a50683d32649bda9696f2a7b3eb8a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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