Trifluoroacetic acid → HCID 178493255, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]([CH2:10][CH2:11][S:12][CH3:13])[C:14](=[O:15])[O:16][CH:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:29]([c:30]2[c:31]([O:46][CH3:47])[cH:32][c:33]([NH:36][C:37]([c:38]3[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]3)=[O:45])[cH:34][cH:35]2)=[O:48])[c:22]2[c:23]1[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)([CH3:5])([CH3:6])[CH3:7].[CH3:56][O:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[NH2:8][CH:9]([CH2:10][CH2:11][S:12][CH3:13])[C:14](=[O:15])[O:16][CH:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:29]([c:30]2[c:31]([O:46][CH3:47])[cH:32][c:33]([NH:36][C:37]([c:38]3[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]3)=[O:45])[cH:34][cH:35]2)=[O:48])[c:22]2[c:23]1[cH:24][c:25]([Cl:28])[cH:26][cH:27]2Participants
4
Sources & evidence
- ORD record
- ord-ac1b227e032d46909cfdfb49a508b9f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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