Aspirin → HCID 22372654, compound
Reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][CH2:11][NH:12][C:13]([CH2:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:21][CH2:22][CH2:23][NH2:24])[cH:19][cH:20]2)=[O:27])[cH:5][cH:6][c:7]1[CH3:8].[CH3:28][C:29](=[O:30])[O:31][c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[C:38]([OH:39])=[O:40].[CH3:51][C:52]#[N:53].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][CH2:11][NH:12][C:13]([CH2:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:21][CH2:22][CH2:23][NH:24][C:38]([c:37]3[c:32]([O:31][C:29]([CH3:28])=[O:30])[cH:33][cH:34][cH:35][cH:36]3)=[O:39])[cH:19][cH:20]2)=[O:27])[cH:5][cH:6][c:7]1[CH3:8]Participants
5
Sources & evidence
- ORD record
- ord-b6c08916213749488042d522ad9c49b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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