Acetic Acid → HCID 178509994, compound
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:50][C:51](=[O:52])[OH:53].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]3[n:12]([cH:13][cH:14][cH:15][c:16]3[C:17]#[N:18])[c:19]2-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:7][cH:8]1.[CH:59]([Cl:60])([Cl:61])[Cl:62].[c:33]1(-[c:39]2[n:40][c:41]([CH:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[n:42][nH:43]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]3[n:12]([cH:13][cH:14][cH:15][c:16]3[C:17]#[N:18])[c:19]2-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:7][cH:8]1)[N:47]1[CH2:46][CH2:45][CH:44]([c:41]2[nH:40][c:39](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:43][n:42]2)[CH2:49][CH2:48]1Participants
7
Sources & evidence
- ORD record
- ord-41dd365bd69a44e7b0b9b0adf78628fc
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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