Acetone → HCID 178441442, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1=[N:6][C:7]2([C:8](=[O:47])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18](-[c:23]4[n:24][n:25][n:26][n:27]4[C:28]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[CH2:48][CH2:49][CH2:50][CH2:51]2.[CH3:54][C:55](=[O:56])[CH3:57].[ClH:58].[K+:53].[OH-:52].[OH2:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1=[N:6][C:7]2([C:8](=[O:47])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18](-[c:23]4[nH:24][n:25][n:26][n:27]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[CH2:48][CH2:49][CH2:50][CH2:51]2Participants
7
Sources & evidence
- ORD record
- ord-4ce8789312ed43bf84935a2e7ba029e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…