Hydrochloric Acid → HCID 178432338, compound
Reaction equation
[CH3:63][c:64]1[nH:65][c:66]2[c:67]([n:72]1)[CH2:68][NH:69][CH2:70][CH2:71]2.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O-:14])[CH2:15][O:16][C:17]([NH:18][c:19]2[n:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)=[O:29])=[O:30])[cH:31][cH:32][cH:33][c:34]1[F:35].[ClH:61].[ClH:62].[Li+:36].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][CH2:11][C:12](=[O:14])[N:69]2[CH2:68][c:67]3[c:66]([nH:65][c:64]([CH3:63])[n:72]3)[CH2:71][CH2:70]2)[CH2:15][O:16][C:17]([NH:18][c:19]2[n:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)=[O:29])=[O:30])[cH:31][cH:32][cH:33][c:34]1[F:35]Participants
8
Sources & evidence
- ORD record
- ord-2d5a5f40738e473ab654325312711ea7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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