Toluene → Cyclopropyl-(5-[(2,6-difluoro-3,5-dimethoxy-phenylimino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl)-amine

HRID 1149597Notes

Reaction equation

HRID 1149597 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:1]1([NH:4][c:5]2[n:6][c:7]([S:13][CH3:14])[n:8][cH:9][c:10]2[CH:11]=[O:12])[CH2:2][CH2:3]1.[F:15][c:16]1[c:17]([NH2:27])[c:18]([F:26])[c:19]([O:24][CH3:25])[cH:20][c:21]1[O:22][CH3:23].[O:28]=[S:29](=[O:30])([OH:31])[CH2:32][C:33]12[CH2:34][CH2:35][CH:36]([C:37]1([CH3:38])[CH3:39])[CH2:40][C:41]2=[O:42]>>[CH:1]1([NH:4][c:5]2[n:6][c:7]([S:13][CH3:14])[n:8][cH:9][c:10]2[CH:11]=[N:27][c:17]2[c:16]([F:15])[c:21]([O:22][CH3:23])[cH:20][c:19]([O:24][CH3:25])[c:18]2[F:26])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 102618922,6-Difluoro-3,5-dimethoxybenzenamineHCID 105363904-Cyclopropylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Product 1

HCID 18444840Cyclopropyl-(5-[(2,6-difluoro-3,5-dimethoxy-phenylimino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl)-amine

Sources & evidence

ORD record
ord-d003f9aee2a9489798ad9ccb77361959
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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