Hydrochloric Acid → HCID 178473281, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:45][CH3:46])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([O:40][CH2:41][C:42](=[O:43])[OH:44])[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH2:47]1[CH2:48][O:49][CH2:50][CH2:51][NH:52]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[ClH:53].[OH2:65].[OH2:81].[OH:66][n:67]1[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:45][CH3:46])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([O:40][CH2:41][C:42](=[O:43])[N:52]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21Participants
8
Sources & evidence
- ORD record
- ord-36f136da42aa4945ae710d5739e0ab94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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