Hydrochloric Acid → HCID 57552289, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH2:33][OH:34])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1.[CH:53]([N:54]([CH:55]([CH3:56])[CH3:68])[P:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])([CH3:69])[CH3:70].[Cl:85][CH2:86][Cl:87].[ClH:47].[Na+:73].[Na+:74].[O-:75][S:76]([O-:77])(=[S:78])=[O:79].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH:71][OH:72].[nH:42]1[cH:43][cH:44][n:45][cH:46]1.[nH:48]1[cH:49][cH:50][n:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH2:33][O:34][P:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:75])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1Participants
10
Sources & evidence
- ORD record
- ord-903363acb8264980b1e493caa2eb8147
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…