Hydrochloric Acid → HCID 22708216, compound
Reaction equation
[C:1](=[O:2])([OH:3])[CH2:4][N:5]([CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([S:14][C:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24])[cH:12][cH:13]1)[CH2:25][c:26]1[o:27][cH:28][cH:29][cH:30]1.[CH3:41][c:42]1[c:43]([NH2:44])[cH:45][c:46]([CH3:51])[c:47]([O:49][CH3:50])[cH:48]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:64][CH2:65][Cl:66].[ClH:52].[OH:31][c:32]1[c:33]2[n:34][n:35][nH:36][c:37]2[cH:38][cH:39][cH:40]1>>[C:1](=[O:3])([CH2:4][N:5]([CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([S:14][C:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24])[cH:12][cH:13]1)[CH2:25][c:26]1[o:27][cH:28][cH:29][cH:30]1)[NH:44][c:43]1[c:42]([CH3:41])[cH:48][c:47]([O:49][CH3:50])[c:46]([CH3:51])[cH:45]1Participants
8
Sources & evidence
- ORD record
- ord-3181ee3f197f44248fdb5e35817fe217
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…