Benzene → HCID 178448946, compound
Reaction equation
[C:29]([CH:30]=[O:31])(=[O:32])[O:33][CH3:34].[C:47](=[O:48])([OH:49])[O-:50].[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][CH:15]([CH3:16])[NH:17][CH2:18][CH:19]([CH2:20][O:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[OH:28])[cH:11][cH:12]1.[CH3:58][OH:59].[Na+:51].[OH2:35].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][CH:15]([CH3:16])[N:17]2[CH2:18][CH:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:28][CH:30]2[C:29](=[O:32])[O:33][CH3:34])[cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-0a901684359b42469f822aae01898c0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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