Acetic Acid → HCID 70266149, compound
Reaction equation
[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[CH:19].[CH3:51][C:52](=[O:53])[OH:54].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li:8][CH2:9][CH2:10][CH2:11][CH3:12].[N+:20](=[O:21])([O-:22])[c:23]1[c:24]([CH:25]=[O:26])[cH:27][cH:28][c:29]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:30]1[NH:31][C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[C:19][CH:25]([c:24]1[c:23]([N+:20](=[O:21])[O-:22])[c:30]([NH:31][C:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)=[O:39])[c:29]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:28][cH:27]1)[OH:26]Participants
7
Sources & evidence
- ORD record
- ord-9314f29a084a4ec29a98a33bb5142b7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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