Hydrochloric Acid → HCID 69216424, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[o:13][c:14]([CH3:61])[c:15]([CH2:17][O:18][c:19]3[c:20]([O:59][CH3:60])[cH:21][c:22]([CH2:23][O:24][c:25]4[n:26][n:27](-[c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[cH:28][c:29]4[CH:30]=[CH:31][c:32]4[n:33][c:34]([N:38]5[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]5)[s:35][c:36]4[CH3:37])[cH:57][cH:58]3)[n:16]2)[cH:10][cH:11]1)=[O:62].[CH3:72][CH2:73][OH:74].[ClH:70].[Na+:69].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH-:68].[OH2:71]>>[O:3]=[C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[o:13][c:14]([CH3:61])[c:15]([CH2:17][O:18][c:19]3[c:20]([O:59][CH3:60])[cH:21][c:22]([CH2:23][O:24][c:25]4[n:26][n:27](-[c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[cH:28][c:29]4[CH:30]=[CH:31][c:32]4[n:33][c:34]([N:38]5[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]5)[s:35][c:36]4[CH3:37])[cH:57][cH:58]3)[n:16]2)[cH:10][cH:11]1)[OH:62]Participants
8
Sources & evidence
- ORD record
- ord-2e8123773ee54827b8b87d7e0b9b30df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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