Hydrochloric Acid → HCID 178473210, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:49][CH3:50])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([O:42][CH2:43][CH2:44][O:45][CH2:46][CH:47]=[O:48])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:63][C:64](=[CH:65][CH3:66])[CH3:67].[CH3:69][C:70]([OH:71])([CH3:72])[CH3:73].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl+:59]([O-:60])[O-:61].[ClH:68].[K+:58].[Na+:62].[OH2:51].[OH2:52].[OH2:74].[P:53](=[O:54])([O-:55])([OH:56])[OH:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:49][CH3:50])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([O:42][CH2:43][CH2:44][O:45][CH2:46][C:47](=[O:48])[OH:54])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21Participants
11
Sources & evidence
- ORD record
- ord-b39f9229340b4a8e8352e0fdc5da926f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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