Acetone → HCID 18506156, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][n:10][n:11][c:12]1-[c:13]1[cH:14][c:15]([O:16][c:17]2[c:18]([NH2:23])[cH:19][cH:20][cH:21][cH:22]2)[cH:24][cH:25][c:26]1-[c:27]1[n:28][n:29][n:30][n:31]1[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:51][C:52](=[O:53])[CH3:54].[N+:39](=[O:40])([O-:41])[c:42]1[cH:43][c:44]([C:45](=[O:46])[Cl:47])[cH:48][cH:49][cH:50]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][n:10][n:11][c:12]1-[c:13]1[cH:14][c:15]([O:16][c:17]2[c:18]([NH:23][C:45]([c:44]3[cH:43][c:42]([N+:39](=[O:40])[O-:41])[cH:50][cH:49][cH:48]3)=[O:46])[cH:19][cH:20][cH:21][cH:22]2)[cH:24][cH:25][c:26]1-[c:27]1[n:28][n:29][n:30][n:31]1[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1Participants
4
Sources & evidence
- ORD record
- ord-7d6e6a020de04b2ea337e17312169c2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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