4-Carboxyphenylboronic Acid → 4-[6-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-2-phenylpyrimidin-4-yl]benzoic acid

HRID 214068Notes

Reaction equation

HRID 214068 reaction equation
[C:40](=[O:41])([OH:42])[c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][c:28](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:29][c:30]([Cl:32])[cH:31]2)=[O:39])[CH2:10][CH2:11]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][c:28](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:29][c:30](-[c:46]3[cH:45][cH:44][c:43]([C:40](=[O:41])[OH:42])[cH:48][cH:47]3)[cH:31]2)=[O:39])[CH2:10][CH2:11]1

Participants

3

Reactant 2

HCID 3121834-Carboxyphenylboronic AcidHCID 87402957Ethyl 4-[2-[(6-chloro-2-phenylpyrimidine-4-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

Product 1

HCID 674651634-[6-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-2-phenylpyrimidin-4-yl]benzoic acid

Sources & evidence

ORD record
ord-3f0dfa089210409aad07e7d10bbb6003
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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