Acetic Acid → HCID 10179024, compound
Reaction equation
[B:58]([F:59])([F:60])[F:61].[C:54]([OH:55])(=[O:56])[CH3:57].[CH3:65][N:66]([CH3:67])[C:68](=[O:69])[CH3:70].[Cl:11][c:12]1[cH:13][c:14]([O:15][c:20]2[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]2)[cH:16][cH:17][c:18]1[Cl:19].[Cl:28][c:29]1[cH:30][c:31]([O:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[nH:40][c:41]4[c:42]([n:43][c:44]([C:47]#[N:48])[cH:45][cH:46]4)[n:49]3)[cH:37][cH:38]2)[cH:50][cH:51][c:52]1[Cl:53].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[n:8][c:9]1[NH2:10].[Na+:64].[OH-:63].[OH2:62]>>[O:15]=[C:47]([c:44]1[n:43][c:42]2[c:41]([nH:40][c:39](-[c:36]3[cH:35][cH:34][c:33]([O:32][c:31]4[cH:30][c:29]([Cl:28])[c:52]([Cl:53])[cH:51][cH:50]4)[cH:38][cH:37]3)[n:49]2)[cH:46][cH:45]1)[NH2:48]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-d21088fed8b44f6cbc7aa7738cdc6573
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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