Acetic Acid → HCID 178440143, compound
Reaction equation
[CH3:54][C:55](=[O:56])[OH:57].[OH2:58].[OH:1][CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[n:8][c:9]([CH2:51][CH2:52][CH3:53])[n:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][n:31]4[C:32]([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:11]1[C:12]#[N:13]>>[OH:1][CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[n:8][c:9]([CH2:51][CH2:52][CH3:53])[n:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:11]1[C:12]#[N:13]Participants
4
Sources & evidence
- ORD record
- ord-afe8d637e45d47b8b8c28b6b9ebb5972
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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