Ethyl Acetate → 4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid ethyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][n:15][c:16]([Cl:19])[cH:17][cH:18]2)=[O:20])[cH:8][cH:9][cH:10]1.[CH2:21]([CH3:22])[O:23][C:24]([c:25]1[cH:26][cH:27][c:28]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:29][cH:30]1)=[O:37].[CH2:38]([O:39][C:40](=[O:41])[c:42]1[cH:43][cH:44][c:45]([N:46]2[CH2:47][CH2:48][N:49]([c:50]3[cH:51][cH:52][c:53]([C:54](=[O:55])[NH:56][c:57]4[cH:58][cH:59][c:60]([CH3:61])[c:62]([I:63])[cH:64]4)[cH:65][n:66]3)[CH2:67][CH2:68]2)[cH:69][cH:70]1)[CH3:71].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][n:15][c:16]([N:34]3[CH2:33][CH2:32][N:31]([c:28]4[cH:27][cH:26][c:25]([C:24]([O:23][CH2:21][CH3:22])=[O:37])[cH:30][cH:29]4)[CH2:36][CH2:35]3)[cH:17][cH:18]2)=[O:20])[cH:8][cH:9][cH:10]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-9ce8647d6eca4d3386c43527c1f17053
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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