Acetone → HCID 13530978, compound
Reaction equation
[CH3:77][C:78](=[O:79])[CH3:80].[Na+:76].[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:45])[N:14]([CH:28]([C:29](=[O:30])[O:31][CH2:32][C:33](=[O:34])[c:35]2[cH:36][cH:37][c:38]([Br:41])[cH:39][cH:40]2)[C:42](=[CH2:43])[CH3:44])[CH:15]1[S:16][S:17][c:18]1[s:19][c:20]2[cH:21][c:22]([CH3:23])[cH:24][cH:25][c:26]2[n:27]1.[OH2:66].[c:46]1([S:52](=[O:53])([O:54][c:55]2[s:56][c:57]3[cH:58][c:59]([CH3:60])[cH:61][cH:62][c:63]3[n:64]2)=[S:65])[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:67]1([S:68]([O-:69])=[O:70])[cH:71][cH:72][cH:73][cH:74][cH:75]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:45])[N:14]([CH:28]([C:29](=[O:30])[O:31][CH2:32][C:33](=[O:34])[c:35]2[cH:36][cH:37][c:38]([Br:41])[cH:39][cH:40]2)[C:42](=[CH2:43])[CH3:44])[CH:15]1[S:54][S:52]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)(=[O:53])=[O:65]Participants
7
Sources & evidence
- ORD record
- ord-62ece34dcb604d759a8c034b0f4b3fd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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