Acetic Acid → HCID 178425900, compound
Reaction equation
[BrH:30].[C:1]([O:2][CH:5]1[CH:6]([O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH:15]([F:29])[CH:16]([CH2:18][O:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)[O:17]1)(=[O:3])[CH3:4].[C:31]([OH:32])(=[O:33])[CH3:34].[CH3:51][C:52]#[N:53].[Cl:48][CH2:49][Cl:50].[H-:47].[NH2:35][c:36]1[n:37][c:38]([Cl:45])[c:39]2[c:40]([n:41]1)[nH:42][cH:43][cH:44]2.[Na+:46]>>[CH:5]1([n:42]2[c:40]3[c:39]([c:38]([Cl:45])[n:37][c:36]([NH2:35])[n:41]3)[cH:44][cH:43]2)[CH:6]([O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH:15]([F:29])[CH:16]([CH2:18][O:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)[O:17]1Participants
9
Sources & evidence
- ORD record
- ord-2bb3f4a920fd4bdebe48afcdba57d843
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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