3-Carboxyphenylboronic acid → 3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-benzoic acid

HRID 1152641Notes

Reaction equation

HRID 1152641 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([B:19]([OH:20])[OH:21])[cH:22][n:23]1.[Cl:24][c:25]1[cH:26][c:27]([NH:33][CH2:34][CH2:35][c:36]2[c:37]([Cl:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[n:28][c:29]([O:31][CH3:32])[n:30]1.[Cl:44][c:45]1[n:46][c:47]([O:48][CH3:49])[n:50][c:51]([NH:52][CH2:53][CH2:54][c:55]2[cH:56][cH:57][c:58]([O:59][CH3:60])[cH:61][cH:62]2)[cH:63]1>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6](-[c:25]2[cH:26][c:27]([NH:33][CH2:34][CH2:35][c:36]3[c:37]([Cl:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]3)[n:28][c:29]([O:31][CH3:32])[n:30]2)[cH:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 27339573-Carboxyphenylboronic acidHCID 2734368(6-Methoxypyridin-3-yl)boronic acidHCID 576360046-Chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-4-pyrimidinamineHCID 57636025(6-Chloro-2-methoxy-pyrimidin-4-yl)-[2-(4-methoxyphenyl)-ethyl]amine

Product 1

HCID 533205273-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-benzoic acid

Sources & evidence

ORD record
ord-8bfe61bf6c0249c58dabc58597f4e505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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