Acetic Acid → HCID 72325660, compound
Reaction equation
[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:39][CH3:40].[OH2:46].[OH:19][CH:20]1[CH:21]([CH3:38])[N:22]([c:26]2[cH:27][c:28]([C:34]([F:35])([F:36])[F:37])[c:29]([C:30]#[N:31])[cH:32][cH:33]2)[C:23](=[O:25])[CH2:24]1>>[CH3:1][CH:24]1[CH:20]([OH:19])[CH:21]([CH3:38])[N:22]([c:26]2[cH:27][c:28]([C:34]([F:35])([F:36])[F:37])[c:29]([C:30]#[N:31])[cH:32][cH:33]2)[C:23]1=[O:25]Participants
9
Sources & evidence
- ORD record
- ord-86647dd907da430c9e3560e55671ee01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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