Water → Morpholin-4-yl-[4-(trifluoromethyl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyrimidin-5-yl]methanone

HRID 145281Notes

Reaction equation

HRID 145281 reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:20][C:21]12[CH:22]([NH2:30])[CH2:23][CH:24]([CH2:25][CH2:26]1)[C:27]2([CH3:28])[CH3:29].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[OH2:37]>>[c:2]1([NH:30][CH:22]2[C:21]3([CH3:20])[CH2:26][CH2:25][CH:24]([CH2:23]2)[C:27]3([CH3:28])[CH3:29])[n:3][cH:4][c:5]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 312751,4-DioxaneHCID 32526(1R,2S,4R)-Born-2-ylamineHCID 581687074-{[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}morpholine

Product 1

HCID 76692471Morpholin-4-yl-[4-(trifluoromethyl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyrimidin-5-yl]methanone

Sources & evidence

ORD record
ord-76fe1c39d72c491ab211dc7b11a9b5d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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