Ethyl Acetate → 4-{4-[5-(1-Ethyl-1H-indol-6-ylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid benzyl ester
Reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][C:30]([c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:35][cH:36]1)=[O:43].[CH2:44]([O:45][C:46](=[O:47])[c:48]1[cH:49][cH:50][c:51]([N:52]2[CH2:53][CH2:54][N:55]([c:56]3[cH:57][cH:58][c:59]([C:60](=[O:61])[NH:62][c:63]4[cH:64][cH:65][c:66]([CH3:67])[c:68]([I:69])[cH:70]4)[cH:71][n:72]3)[CH2:73][CH2:74]2)[cH:75][cH:76]1)[CH3:77].[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][n:15]([CH2:18][CH3:19])[c:16]3[cH:17]2)[cH:20][cH:21]1>>[c:2]1([N:40]2[CH2:39][CH2:38][N:37]([c:34]3[cH:33][cH:32][c:31]([C:30]([O:29][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)=[O:43])[cH:36][cH:35]3)[CH2:42][CH2:41]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][n:15]([CH2:18][CH3:19])[c:16]3[cH:17]2)[cH:20][cH:21]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-36d862be2c47457bb17a8f1994adf54e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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