Acetic Acid → HCID 57781123, compound
Reaction equation
[C:41]1(=[O:45])[CH2:42][CH2:43][CH2:44]1.[CH2:21]([CH3:22])[N:23]([C:24]([c:25]1[c:26]([CH2:31][n:32]2[cH:33][n:34][cH:35][c:36]2[I:37])[cH:27][cH:28][cH:29][cH:30]1)=[O:38])[CH2:39][CH3:40].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:14][CH:15]([N-:16][CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:52][C:53](=[O:54])[OH:55].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li+:13].[OH2:51]>>[CH2:21]([CH3:22])[N:23]([C:24]([c:25]1[c:26]([CH:31]([n:32]2[cH:33][n:34][cH:35][c:36]2[I:37])[C:41]2([OH:45])[CH2:42][CH2:43][CH2:44]2)[cH:27][cH:28][cH:29][cH:30]1)=[O:38])[CH2:39][CH3:40]Participants
10
Sources & evidence
- ORD record
- ord-752ef11cce834389a0143ea0a4f7cbbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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