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

HRID 1238769Notes

Reaction equation

HRID 1238769 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:26])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18]([B:23]([OH:24])[OH:25])[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1.[Cl:27][c:28]1[cH:29][c:30]([N:35]([CH2:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[n:31][c:32]([CH3:34])[n:33]1.[K+:58].[O-:54][C:55]([CH3:56])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:26])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18](-[c:28]3[cH:29][c:30]([N:35]([CH2:36][c:37]4[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[CH2:45][c:46]4[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]4)[n:31][c:32]([CH3:34])[n:33]3)[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 175AcetateHCID 813Potassium CationHCID 595484046-chloro-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amineHCID 68512793HCID 68512793, compound

Product 1

HCID 178491057tert-butyl 4-[1-[5-[6-[bis[(4-methoxyphenyl)methyl]amino]-2-methylpyrimidin-4-yl]-6-fluoro-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-2d062b33ee154e78b115a60cddce4adf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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