Acetate → Dicyclopropyl{5-[3-(morpholin-4-yl)-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl]-1,3-thiazol-2-yl}methanol

HRID 286524Notes

Reaction equation

HRID 286524 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[Cs+:42].[Cs+:43].[NH2:12][c:13]1[cH:14][c:15](-[c:25]2[cH:26][n:27][c:28]([C:30]([OH:31])([CH:32]3[CH2:33][CH2:34]3)[CH:35]3[CH2:36][CH2:37]3)[s:29]2)[cH:16][c:17]([N:19]2[CH2:20][CH2:21][O:22][CH2:23][CH2:24]2)[cH:18]1.[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44].[Pd+2:51]>>[c:2]1([NH:12][c:13]2[cH:14][c:15](-[c:25]3[cH:26][n:27][c:28]([C:30]([OH:31])([CH:32]4[CH2:33][CH2:34]4)[CH:35]4[CH2:36][CH2:37]4)[s:29]3)[cH:16][c:17]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:18]2)[n:3][cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27739122-Chloro-4-(trifluoromethyl)pyrimidineHCID 67433244(5-[3-Amino-5-(morpholin-4-yl)phenyl]-1,3-thiazol-2-yl)(dicyclopropyl)methanol

Product 1

HCID 58456174Dicyclopropyl{5-[3-(morpholin-4-yl)-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl]-1,3-thiazol-2-yl}methanol

Sources & evidence

ORD record
ord-1b05a18e6e64445aac9c71787daaf570
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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