Benzeneacetic acid, 4-bromo- → (4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-phenyl)-acetic acid

HRID 2337953Notes

Reaction equation

HRID 2337953 reaction equation
[Br:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]1.[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:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:25])[cH:8][cH:9][cH:10]1.[C:37]([c:38]1[cH:39][c:40]([NH:41][C:42]([c:43]2[cH:44][cH:45][c:46]([N:47]3[CH2:48][CH2:49][N:50]([c:51]4[cH:52][cH:53][c:54]([C:55]([OH:56])=[O:57])[cH:58][cH:59]4)[CH2:60][CH2:61]3)[c:62]([F:63])[cH:64]2)=[O:65])[cH:66][cH:67][cH:68]1)([CH3:69])([CH3:70])[CH3:71]>>[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:19]3[CH2:20][CH2:21][N:22]([c:27]4[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]4)[CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:25])[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 74654Benzeneacetic acid, 4-bromo-HCID 59318114N-(3-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamideHCID 593181934-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid

Product 1

HCID 59318003(4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-phenyl)-acetic acid

Sources & evidence

ORD record
ord-5f2940a4d7a141d3a0106ff0fbf6e102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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