Hydrochloric Acid → HCID 178482956, compound
Reaction equation
[Br:17][CH2:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][c:24]([N:52]([CH3:53])[CH3:54])[c:25]2[c:38]([c:39]1[OH:40])[C:37](=[O:41])[C:36]1=[C:35]([OH:42])[C:34]3([OH:43])[CH:29]([CH2:28][CH:27]1[CH2:26]2)[CH:30]([N:49]([CH3:50])[CH3:51])[C:31]([OH:48])=[C:32]([C:45](=[O:46])[NH2:47])[C:33]3=[O:44].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH:9][OH:10].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[C:62]1=[O:63].[CH3:64][C:65]#[N:66].[ClH:1].[Na+:11].[Na+:12].[O-:13][C:14](=[O:15])[O-:16]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]([OH:10])[CH2:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][c:24]([N:52]([CH3:53])[CH3:54])[c:25]2[c:38]([c:39]1[OH:40])[C:37](=[O:41])[C:36]1=[C:35]([OH:42])[C:34]3([OH:43])[CH:29]([CH2:28][CH:27]1[CH2:26]2)[CH:30]([N:49]([CH3:50])[CH3:51])[C:31]([OH:48])=[C:32]([C:45](=[O:46])[NH2:47])[C:33]3=[O:44]Participants
8
Sources & evidence
- ORD record
- ord-ae5df869b57a40e9a18bc2394edb8922
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…