Hydrochloric Acid → HCID 68458639, compound
Reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:55][CH2:56][O:57][CH2:58][CH2:59][OH:60].[Cl:1][c:2]1[c:3]([C:26]#[N:27])[cH:4][n:5][c:6]2[cH:7][c:8]([N:15]3[CH2:16][CH2:17][CH:18]([N:21]4[CH2:22][CH2:23][CH2:24][CH2:25]4)[CH2:19][CH2:20]3)[c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12.[Cl:28][c:29]1[cH:30][c:31]([NH2:32])[cH:33][cH:34][c:35]1[S:36][c:37]1[n:38]([CH3:42])[cH:39][cH:40][n:41]1.[ClH:43].[Na+:54].[n:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([NH:32][c:31]2[cH:30][c:29]([Cl:28])[c:35]([S:36][c:37]3[n:38]([CH3:42])[cH:39][cH:40][n:41]3)[cH:34][cH:33]2)[c:3]([C:26]#[N:27])[cH:4][n:5][c:6]2[cH:7][c:8]([N:15]3[CH2:16][CH2:17][CH:18]([N:21]4[CH2:22][CH2:23][CH2:24][CH2:25]4)[CH2:19][CH2:20]3)[c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-71d457e820a643de84d56d49d586abaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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