Chloride → HCID 178498711, compound
Reaction equation
[Al+3:2].[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][CH:13]1[CH2:14][N:15]([c:19]2[c:20]([C:49](=[O:50])[O:51][CH3:52])[c:21]3[n:22]([CH3:48])[c:23](=[O:47])[n:24]([CH2:38][c:39]4[cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45][cH:46]4)[c:25](=[O:37])[c:26]3[n:27]2[CH2:28][c:29]2[c:30]([Cl:36])[cH:31][cH:32][c:33]([F:35])[cH:34]2)[CH2:16][CH2:17][CH2:18]1.[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl-:1].[Cl-:3].[Cl-:4].[ClH:53]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][CH:13]1[CH2:14][N:15]([c:19]2[c:20]([C:49](=[O:50])[O:51][CH3:52])[c:21]3[n:22]([CH3:48])[c:23](=[O:47])[nH:24][c:25](=[O:37])[c:26]3[n:27]2[CH2:28][c:29]2[c:30]([Cl:36])[cH:31][cH:32][c:33]([F:35])[cH:34]2)[CH2:16][CH2:17][CH2:18]1Participants
6
Sources & evidence
- ORD record
- ord-f010cd954ad0442c8eb93b7dddc53992
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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