Hydrochloric Acid → HCID 68458881, compound
Reaction equation
[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:7][O:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]2[cH:15][c:16]([C:32]3=[N:36][CH2:35][CH:34]([CH2:37][C:38](=[O:39])[OH:40])[S:33]3)[nH:17][c:18]2[c:19]([N:21]([S:22](=[O:23])(=[O:24])[c:25]2[n:26][cH:27][cH:28][cH:29][cH:30]2)[CH3:31])[cH:20]1.[ClH:1].[ClH:51].[NH:2]1[CH2:3][CH:4]([OH:6])[CH2:5]1.[OH2:63].[n:41]1([OH:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[N:2]1([C:38]([CH2:37][CH:34]2[S:33][C:32]([c:16]3[cH:15][c:14]4[cH:13][c:12]([O:11][CH2:10][CH2:9][O:8][CH3:7])[cH:20][c:19]([N:21]([S:22](=[O:23])(=[O:24])[c:25]5[n:26][cH:27][cH:28][cH:29][cH:30]5)[CH3:31])[c:18]4[nH:17]3)=[N:36][CH2:35]2)=[O:39])[CH2:3][CH:4]([OH:6])[CH2:5]1Participants
9
Sources & evidence
- ORD record
- ord-45a21b4a6d19472c81933d6c03d94f1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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