Hydrochloric Acid → HCID 178437076, compound
Reaction equation
[CH2:13]([CH3:14])[CH:15]1[CH2:16][N:17]([c:21]2[n:22]([CH2:43][C:44]([F:45])([F:46])[F:47])[c:23]3[n:24][c:25](-[c:36]4[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]4)[n:26][c:27]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[c:28]3[n:29]2)[CH2:18][CH2:19][NH:20]1.[CH2:2]([N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[CH3:12].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:65][N:66]([CH:67]=[O:68])[CH3:69].[ClH:1].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH2:13]([CH3:14])[CH:15]1[CH2:16][N:17]([c:21]2[n:22]([CH2:43][C:44]([F:45])([F:46])[F:47])[c:23]3[n:24][c:25](-[c:36]4[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]4)[n:26][c:27]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[c:28]3[n:29]2)[CH2:18][CH2:19][N:20]1[C:67]([CH:53]([CH3:54])[OH:55])=[O:68]Participants
7
Sources & evidence
- ORD record
- ord-de5afedf17564adfa5194efe9ef1b9f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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