Acetate → Tert-butyl 4-[1-[5-[6-[bis[(4-methoxyphenyl)methyl]amino]-2-methylpyrimidin-4-yl]-6-fluoro-3-pyridinyl]ethyl]piperazine-1-carboxylate

HRID 2142011Notes

Reaction equation

HRID 2142011 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][N:38]([CH:41]([CH3:42])[c:43]2[cH:44][c:45]([B:50]([OH:51])[OH:52])[c:46]([F:49])[n:47][cH:48]2)[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[K+:57].[O-:53][C:54]([CH3:55])=[O:56].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH2:64]>>[c:2]1(-[c:45]2[cH:44][c:43]([CH:41]([N:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]3)[CH3:42])[cH:48][n:47][c:46]2[F:49])[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 312751,4-DioxaneHCID 595484046-chloro-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amineHCID 666004735-(1-(4-(Tert-butoxycarbonyl)piperazin-1-yl)ethyl)-2-fluoropyridin-3-ylboronic acid

Product 1

HCID 77151662Tert-butyl 4-[1-[5-[6-[bis[(4-methoxyphenyl)methyl]amino]-2-methylpyrimidin-4-yl]-6-fluoro-3-pyridinyl]ethyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-062589db0d5d48b787bd17cf362edca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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