Acetate → Tert-butyl 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-3-pyridinyl]methyl]-3-methylpiperazine-1-carboxylate

HRID 1230726Notes

Reaction equation

HRID 1230726 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[C:41](=[O:42])([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[N:48]1[CH2:49][CH:50]([CH3:54])[NH:51][CH2:52][CH2:53]1.[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([N:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[n:12][c:13]([CH3:15])[n:14]2)[c:5]([F:8])[n:6][cH:7]1.[Cs+:39].[Cs+:40].[Pd+2:59]>>[c:2]1([CH2:35][N:51]2[CH:50]([CH3:54])[CH2:49][N:48]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:53][CH2:52]2)[cH:3][c:4](-[c:9]2[n:10][c:11]([N:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[n:12][c:13]([CH3:15])[n:14]2)[c:5]([F:8])[n:6][cH:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylateHCID 666005044-(5-chloro-2-fluoropyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

Product 1

HCID 66611414Tert-butyl 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-3-pyridinyl]methyl]-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-8695681eb95540449b0ffd02434c2c04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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