Hydrochloric Acid → HCID 91453353, compound
Reaction equation
[C:11](=[O:12])([n:13]1[cH:14][cH:15][n:16][cH:17]1)[n:18]1[cH:19][cH:20][n:21][cH:22]1.[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH2:8][NH2:9])=[O:10].[CH3:61][C:62]#[N:63].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:32][c:33]1[c:34]([C:35](=[O:36])[NH:37][CH2:38][CH2:39][CH:40]([CH3:41])[N:42]2[CH2:43][CH2:44][CH:45]([NH:48][CH2:49][c:50]3[cH:51][s:52][cH:53][cH:54]3)[CH2:46][CH2:47]2)[c:55]([CH3:60])[cH:56][c:57]([Cl:59])[n:58]1.[ClH:1]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH2:8][NH:9][C:11](=[O:12])[N:48]([CH:45]1[CH2:44][CH2:43][N:42]([CH:40]([CH2:39][CH2:38][NH:37][C:35]([c:34]2[c:33]([Cl:32])[n:58][c:57]([Cl:59])[cH:56][c:55]2[CH3:60])=[O:36])[CH3:41])[CH2:47][CH2:46]1)[CH2:49][c:50]1[cH:51][s:52][cH:53][cH:54]1)=[O:10]Participants
7
Sources & evidence
- ORD record
- ord-22785df387134851a36d8f5480ebb890
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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