Hydrochloric Acid → HCID 22262204, compound
Reaction equation
[CH2:42]([N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51])[CH3:52].[CH3:63][C:64]#[N:65].[ClH:41].[F:27][c:28]1[cH:29][cH:30][c:31]([C:38](=[O:39])[OH:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:20][C:21]([CH:22]([F:23])[F:24])([F:25])[F:26])[cH:16][c:17]([CH3:19])[cH:18]1.[OH2:66].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:20][C:21]([CH:22]([F:23])[F:24])([F:25])[F:26])[cH:16][c:17]([CH3:19])[cH:18]1)[C:38]([c:31]1[cH:30][cH:29][c:28]([F:27])[c:37]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2)=[O:39]Participants
8
Sources & evidence
- ORD record
- ord-66371118a7a243c2bc946a4792f29073
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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