Acetone → HCID 13530979, compound
Reaction equation
[CH3:69][C:70](=[O:71])[CH3:72].[Na+:68].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:47])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH:31]2[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3-[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]32)[C:44](=[CH2:45])[CH3:46])[CH:15]1[S:16][S:17][c:18]1[s:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26]1.[c:48]1([S:54](=[O:55])(=[O:56])[C:57]#[N:58])[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:59]1([S:60]([O-:61])=[O:62])[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:47])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH:31]2[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3-[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]32)[C:44](=[CH2:45])[CH3:46])[CH:15]1[S:16][S:54]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:55])=[O:56]Participants
6
Sources & evidence
- ORD record
- ord-24c6aef7e294493c919a0cdf6250089a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…