Hydrochloric Acid → HCID 178502657, compound
Reaction equation
[Br:6][CH2:7][C:8](=[O:9])[NH:10][c:11]1[cH:12][c:13]([N:41]([CH3:42])[CH3:43])[c:14]2[c:27]([c:28]1[OH:29])[C:26](=[O:30])[C:25]1=[C:24]([OH:31])[C:23]3([OH:32])[CH:18]([CH2:17][CH:16]1[CH2:15]2)[CH:19]([N:38]([CH3:39])[CH3:40])[C:20]([OH:37])=[C:21]([C:34](=[O:35])[NH2:36])[C:22]3=[O:33].[CH3:2][NH:3][O:4][CH3:5].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[C:51]1=[O:52].[CH3:53][C:54]#[N:55].[ClH:1]>>[CH3:2][N:3]([O:4][CH3:5])[CH2:7][C:8](=[O:9])[NH:10][c:11]1[cH:12][c:13]([N:41]([CH3:42])[CH3:43])[c:14]2[c:27]([c:28]1[OH:29])[C:26](=[O:30])[C:25]1=[C:24]([OH:31])[C:23]3([OH:32])[CH:18]([CH2:17][CH:16]1[CH2:15]2)[CH:19]([N:38]([CH3:39])[CH3:40])[C:20]([OH:37])=[C:21]([C:34](=[O:35])[NH2:36])[C:22]3=[O:33]Participants
6
Sources & evidence
- ORD record
- ord-36dd8f044dd64968a32a4d571ebeb955
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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