Acetic Acid → HCID 69016915, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH3:10])[N:11]([C:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH:21]([CH:22]([CH3:23])[CH3:24])[c:25]1[n:26][c:27]([CH3:41])[c:28]([C:39]#[N:40])[c:29](=[O:38])[n:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:42].[C:57]([OH:58])(=[O:59])[CH3:60].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][C:51](=[O:52])[O:53][C:54]([CH3:55])=[O:56].[Cl:61][CH2:62][Cl:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH3:10])[N:11]([C:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH:21]([CH:22]([CH3:23])[CH3:24])[c:25]1[n:26][c:27]([CH3:41])[c:28]([CH2:39][NH:40][C:51]([CH3:50])=[O:52])[c:29](=[O:38])[n:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:42]Participants
6
Sources & evidence
- ORD record
- ord-9fbb5a49a0364cc689c19b04909d2f45
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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