Hydrochloric Acid → HCID 72286599, compound
Reaction equation
[C:30]([CH3:31])(=[O:32])[O:33][CH2:34][C:35](=[O:36])[OH:37].[C:60](=[O:61])([OH:62])[O-:63].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[Cl:65][CH2:66][Cl:67].[ClH:38].[Na+:64].[OH:1][N:2]=[C:3]([NH2:4])[c:5]1[cH:6][n:7][c:8]([C:11]([CH:12]([CH3:13])[CH3:14])([CH3:15])[c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][n:24][cH:25][c:26]([O:28][CH3:29])[cH:27]3)[cH:20][cH:21]2)[cH:9][cH:10]1.[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[O:1]([N:2]=[C:3]([NH2:4])[c:5]1[cH:6][n:7][c:8]([C:11]([CH:12]([CH3:13])[CH3:14])([CH3:15])[c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][n:24][cH:25][c:26]([O:28][CH3:29])[cH:27]3)[cH:20][cH:21]2)[cH:9][cH:10]1)[C:35]([CH2:34][O:33][C:30]([CH3:31])=[O:32])=[O:36]Participants
9
Sources & evidence
- ORD record
- ord-406ea6dd490b437084e66a3eb1b3462d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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