Ammonia → HCID 49764192, compound
Reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[Cl:60][CH2:61][Cl:62].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][N:15]([CH:17]3[CH2:18][CH2:19][CH:20]([c:23]4[cH:24][cH:25][c:26]([CH2:29][C:30](=[O:31])[OH:32])[cH:27][cH:28]4)[CH2:21][CH2:22]3)[CH2:16]2)[cH:33][cH:34][cH:35]1)([F:36])[F:37].[NH3:59].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][N:15]([CH:17]3[CH2:18][CH2:19][CH:20]([c:23]4[cH:24][cH:25][c:26]([CH2:29][C:30](=[O:31])[NH2:40])[cH:27][cH:28]4)[CH2:21][CH2:22]3)[CH2:16]2)[cH:33][cH:34][cH:35]1)([F:36])[F:37]Participants
7
Sources & evidence
- ORD record
- ord-e05bf863276f40d6a50c6cc6a2c902cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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