2-Butenedioic acid → HCID 178481143, compound
Reaction equation
[C:9]([OH:10])(=[O:11])[CH:12]=[CH:13][C:14]([OH:15])=[O:16].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([cH:52]1)[O:23][CH2:24][c:25]1[c:26]([cH:48][cH:49][cH:50][cH:51]1)[C:27]2=[CH:28][c:29]1[cH:30][c:31]2[c:32]([n:33]([CH:39]3[CH2:40][N:41]([CH3:45])[CH2:42][CH:43]3[OH:44])[c:34](=[N:36][C:37]#[N:38])[nH:35]2)[cH:46][cH:47]1.[Na+:54].[OH-:53].[OH2:8].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[O:1]=[C:37]([N:36]=[c:34]1[n:33]([CH:39]2[CH2:40][N:41]([CH3:45])[CH2:42][CH:43]2[OH:44])[c:32]2[c:31]([cH:30][c:29]([CH:28]=[C:27]3[c:21]4[cH:20][cH:19][c:18]([F:17])[cH:52][c:22]4[O:23][CH2:24][c:25]4[c:26]3[cH:48][cH:49][cH:50][cH:51]4)[cH:47][cH:46]2)[nH:35]1)[NH2:38]Participants
8
Sources & evidence
- ORD record
- ord-db8ffdea467f43ce88516ecf8231ac4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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