Acetate → HCID 9906472, compound
Reaction equation
[C:42]([O-:43])(=[O:44])[CH3:45].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:19][c:20]1[cH:21][c:22]([C:27]2=[C:28]([c:32]3[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[CH3:41])[cH:36][cH:37]3)[CH2:29][CH2:30][CH2:31]2)[cH:23][cH:24][c:25]1[F:26].[F-:1].[NH2:47][O:48][S:49]([OH:50])(=[O:51])=[O:52].[Na+:46].[OH2:59]>>[NH2:6][S:38]([c:35]1[cH:34][cH:33][c:32]([C:28]2=[C:27]([c:22]3[cH:21][c:20]([Cl:19])[c:25]([F:26])[cH:24][cH:23]3)[CH2:31][CH2:30][CH2:29]2)[cH:37][cH:36]1)(=[O:39])=[O:40]Participants
10
Sources & evidence
- ORD record
- ord-1184fa569a854d9a949905636554a1d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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