Acetic Acid → HCID 178474664, compound
Reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:58]([Cl:59])[Cl:60].[CH3:1][C:2]([OH:3])=[O:4].[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:5][C:6]([CH2:7][c:8]1[n:9][c:10]([CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[n:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[cH:19][cH:20]2)[NH2:28])[nH:11][cH:12]1)([CH3:29])[CH3:30].[ClH:31].[Na+:57].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][C:2](=[O:4])[NH:28][CH:13]([c:10]1[n:9][c:8]([CH2:7][C:6]([CH3:5])([CH3:29])[CH3:30])[cH:12][nH:11]1)[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[n:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:19][cH:20]1Participants
9
Sources & evidence
- ORD record
- ord-102a99ea069d4a7d98bbbeade6bc4afa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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