Acetone → HCID 20437378, compound
Reaction equation
[CH2:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[NH:32][c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1.[CH2:58]([Cl:59])[Cl:60].[CH2:61]([CH2:62][O:63][CH3:64])[O:65][CH3:66].[CH3:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:67][C:68]([N:69]([CH3:70])[CH3:71])=[O:72].[Cl-:47].[H-:14].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:8][cH:9]1.[Na+:15].[Na+:46].[OH2:73].[S:42]([Cl:43])([Cl:44])=[O:45]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][C:37]([c:36]2[cH:35][cH:34][c:33]([NH:32][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:41][cH:40]2)=[O:38])[cH:8][cH:9]1Participants
13
Reactant 12
Product 1
Sources & evidence
- ORD record
- ord-852f077364114eb4952d55c5e365c3ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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