Hydrochloric Acid → HCID 178424590, compound
Reaction equation
[CH3:1][NH:2][CH3:3].[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:58].[F:4][C:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[N:11]2[CH:12]([CH2:30][c:31]3[cH:32][c:33]([CH3:38])[c:34]([CH3:37])[cH:35][cH:36]3)[CH2:13][N:14]([CH2:17][C:18]#[C:19][CH2:20][N:21]3[CH:22]([C:27](=[O:28])[OH:29])[CH2:23][O:24][CH2:25][CH2:26]3)[CH2:15][CH2:16]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][N:2]([CH3:3])[C:27]([CH:22]1[N:21]([CH2:20][C:19]#[C:18][CH2:17][N:14]2[CH2:13][CH:12]([CH2:30][c:31]3[cH:32][c:33]([CH3:38])[c:34]([CH3:37])[cH:35][cH:36]3)[N:11]([C:9]([c:8]3[cH:7][c:6]([C:5]([F:4])([F:46])[F:47])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]3)=[O:10])[CH2:16][CH2:15]2)[CH2:26][CH2:25][O:24][CH2:23]1)=[O:29]Participants
8
Sources & evidence
- ORD record
- ord-e5d4f1cb70f448d99603bc65b6138d05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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