5-Chloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2-fluoro-benzoic acid → 3,5-Dichloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2-fluoro-benzoic acid
Reaction equation
[Cl:1][c:2]1[c:3]([NH:4][c:5]2[n:6][c:7]3[c:8]([cH:21][n:22]2)[N:9]([CH3:10])[C:11](=[O:12])[CH2:13][CH2:14][N:15]3[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:23][c:24]([F:25])[c:26]([C:28]([OH:29])=[O:30])[cH:27]1.[Cl:31][c:32]1[c:33]([F:65])[c:34]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42][c:43]([Cl:64])[c:44]1[NH:45][c:46]1[n:47][cH:48][c:49]2[c:55]([n:56]1)[N:54]([CH:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1)[CH2:53][CH2:52][C:51](=[O:62])[N:50]2[CH3:63]>>[Cl:31][c:32]1[c:33]([F:65])[c:34]([C:35](=[O:36])[OH:37])[cH:42][c:43]([Cl:64])[c:44]1[NH:45][c:46]1[n:47][cH:48][c:49]2[c:55]([n:56]1)[N:54]([CH:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1)[CH2:53][CH2:52][C:51](=[O:62])[N:50]2[CH3:63]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-1d2bc51a23ac447c876d27c372c6b32c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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