Acetone → HCID 13530979, compound
Reaction equation
[CH3:78][C:79](=[O:80])[CH3:81].[Na+:77].[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.[OH2:67].[c:48]1([S:54](=[O:55])([O:56][c:57]2[s:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[n:65]2)=[S:66])[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:68]1([S:69]([O-:70])=[O:71])[cH:72][cH:73][cH:74][cH:75][cH:76]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:56][S:54]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:55])=[O:66]Participants
7
Sources & evidence
- ORD record
- ord-c6fbb3f6c1b44b4f916cf5af19090e15
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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