Toluene → Cyclopentyl-{5-[(3-ethoxy-2,6-difluoro-phenylimino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl}-amine

HRID 676190Notes

Reaction equation

HRID 676190 reaction equation
[CH2:17]([CH3:18])[O:19][c:20]1[c:21]([F:28])[c:22]([NH2:27])[c:23]([F:26])[cH:24][cH:25]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]1([NH:6][c:7]2[n:8][c:9]([S:15][CH3:16])[n:10][cH:11][c:12]2[CH:13]=[O:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:29]=[S:30](=[O:31])([OH:32])[CH2:33][C:34]12[CH2:35][CH2:36][CH:37]([C:38]1([CH3:39])[CH3:40])[CH2:41][C:42]2=[O:43]>>[CH:1]1([NH:6][c:7]2[n:8][c:9]([S:15][CH3:16])[n:10][cH:11][c:12]2[CH:13]=[N:27][c:22]2[c:21]([F:28])[c:20]([O:19][CH2:17][CH3:18])[cH:25][cH:24][c:23]2[F:26])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 107998964-(Cyclopentylamino)-2-(methylthio)pyrimidine-5-carbaldehydeHCID 184447123-Ethoxy-2,6-difluoroaniline

Product 1

HCID 18444838Cyclopentyl-{5-[(3-ethoxy-2,6-difluoro-phenylimino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl}-amine

Sources & evidence

ORD record
ord-95b212a0931e46b59aa40e45a398a0a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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