Acetic Acid → HCID 87949743, compound
Reaction equation
[CH3:39][C:40]([OH:41])=[O:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[c:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1.[Cl:71][CH2:72][Cl:73].[ClH:50].[NH2:1][CH:2]1[CH:3]2[CH2:4][CH2:5][CH:6]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[C:7]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:8]1)[N:9]2[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[NH:1]([CH:2]1[CH:3]2[CH2:4][CH2:5][CH:6]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[C:7]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:8]1)[N:9]2[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:40]([CH3:39])=[O:41]Participants
8
Sources & evidence
- ORD record
- ord-2d3005a5c9b34323bdb37153238d0505
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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