4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid → 4-{4-[5-(4-Chloro-3-iodo-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid
Reaction equation
[C:35]([c:36]1[cH:37][c:38]([NH:39][C:40]([c:41]2[cH:42][cH:43][c:44]([N:45]3[CH2:46][CH2:47][N:48]([c:49]4[cH:50][cH:51][c:52]([C:53]([OH:54])=[O:55])[cH:56][cH:57]4)[CH2:58][CH2:59]3)[n:60][cH:61]2)=[O:62])[cH:63][cH:64][cH:65]1)([CH3:66])([CH3:67])[CH3:68].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][c:20]([C:23]([NH:24][c:25]4[cH:26][c:27]([I:32])[c:28]([Cl:31])[cH:29][cH:30]4)=[O:33])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)=[O:34]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][c:20]([C:23]([NH:24][c:25]4[cH:26][c:27]([I:32])[c:28]([Cl:31])[cH:29][cH:30]4)=[O:33])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)[OH:34]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-4b8082ddce5240a48418509e94f36cce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)