Aniline → HCID 25095672, compound
Reaction equation
[CH2:1]([N:2]1[CH2:3][CH2:4][N:5]([c:6]2[s:7][c:8]([C:9]([OH:10])=[O:11])[c:12]([CH3:13])[n:14]2)[C:15]1=[O:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:23][c:24]1[n:25][c:26]([N:32]2[C:33](=[O:49])[N:34]([CH2:37][c:38]3[cH:39][cH:40][c:41]([O:44][C:45]([F:46])([F:47])[F:48])[cH:42][cH:43]3)[CH2:35][CH2:36]2)[s:27][c:28]1[C:29](=[O:30])[OH:31].[NH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH3:23][c:24]1[n:25][c:26]([N:32]2[C:33](=[O:49])[N:34]([CH2:37][c:38]3[cH:39][cH:40][c:41]([O:44][C:45]([F:46])([F:47])[F:48])[cH:42][cH:43]3)[CH2:35][CH2:36]2)[s:27][c:28]1[C:29](=[O:30])[NH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1Participants
4
Sources & evidence
- ORD record
- ord-ba8b51b818d044978799c5097fc2a07f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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