Acetate → HCID 136386345, compound
Reaction equation
[CH3:2][C:3](=[O:4])[O-:5].[CH3:6][C:7](=[O:8])[OH:9].[Cl:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[n:26][c:27]([C:31]([CH3:32])=[N:33][O:34][CH3:35])[n:28]([CH3:30])[cH:29]3)[cH:23][cH:24]2)[CH2:36][CH2:37][OH:38])[cH:39][cH:40][c:41]1[O:42][CH:43]([CH3:44])[CH3:45].[Na+:1].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[Cl:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[n:26][c:27]([C:31]([CH3:32])=[N:33][OH:34])[n:28]([CH3:30])[cH:29]3)[cH:23][cH:24]2)[CH2:36][CH2:37][OH:38])[cH:39][cH:40][c:41]1[O:42][CH:43]([CH3:44])[CH3:45]Participants
7
Sources & evidence
- ORD record
- ord-da41e9ea3ed04f95ae43b44eedc9130c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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