Hydrochloric Acid → HCID 178446397, compound
Reaction equation
[C:61](=[O:62])([OH:63])[O-:64].[CH2:46]([CH2:47][CH:48]([CH3:49])[CH3:50])[NH:51][CH2:52][CH:53]([CH:54]([CH2:55][CH:56]([CH3:57])[CH3:58])[NH2:59])[OH:60].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH:72]([CH2:73][CH2:74][O:75][N:76]=[O:77])[CH3:78].[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[ClH:44].[ClH:45].[N-:1]=[N+:2]=[N-:3].[N-:41]=[N+:42]=[N-:43].[Na+:65].[c:4]1([CH2:14][CH:15]([C:16](=[O:17])[NH:18][CH:19]([CH2:20][c:21]2[cH:22][nH:23][cH:24][n:25]2)[C:26](=[O:27])[OH:28])[CH2:29][C:30]([NH:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12>>[c:4]1([CH2:14][CH:15]([C:16](=[O:17])[NH:18][CH:19]([CH2:20][c:21]2[cH:22][nH:23][cH:24][n:25]2)[C:26](=[O:27])[NH:59][CH:54]([CH:53]([CH2:52][NH:51][CH2:46][CH2:47][CH:48]([CH3:49])[CH3:50])[OH:60])[CH2:55][CH:56]([CH3:57])[CH3:58])[CH2:29][C:30]([NH:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12Participants
10
Sources & evidence
- ORD record
- ord-3d879cf03305491cb7f6a33636a17afc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…