Water → Methyl 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-2-carboxylate

HRID 1213654Notes

Reaction equation

HRID 1213654 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([OH:12])[c:8]([CH3:11])[cH:9][cH:10]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:61][CH:62]([Cl:63])[Cl:64].[F:13][C:14]([F:15])([F:16])[C:17]([O:18][C:19](=[O:20])[C:21]([F:22])([F:23])[F:24])=[O:25].[F:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[n:34][c:35]([N:46]3[CH:47]([CH3:51])[CH2:48][CH2:49][CH2:50]3)[n:36][c:37]([N:39]3[CH:40]([CH3:45])[CH2:41][NH:42][CH2:43][CH2:44]3)[cH:38]2)[cH:31][cH:32]1.[OH2:65]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([N:42]2[CH2:41][CH:40]([CH3:45])[N:39]([c:37]3[n:36][c:35]([N:46]4[CH:47]([CH3:51])[CH2:48][CH2:49][CH2:50]4)[n:34][c:33](-[c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)[cH:38]3)[CH2:44][CH2:43]2)[c:8]([CH3:11])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 962WaterHCID 6212ChloroformHCID 9845Trifluoroacetic anhydrideHCID 81531DiisopropylethylamineHCID 668388634-(4-Fluoro-phenyl)-6-(2-methyl-piperazin-1-yl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidineHCID 178497865HCID 178497865, compound

Product 1

HCID 66838875Methyl 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-2-carboxylate

Sources & evidence

ORD record
ord-e5c5dd3832fa4b82b0852bb3d9628245
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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