Hydrochloric Acid → 2-Amino-4-[(3-chloro-5-trifluoromethyl-pyridin-2-yl-methyl)-amino]-6-furan-2-yl-pyrimidine-5-carbonitrile

HRID 702396

Reaction equation

HRID 702396 reaction equation
[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[ClH:18].[NH2:19][CH2:20][c:21]1[n:22][cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]1[Cl:27].[NH2:1][c:2]1[n:3][c:4]([S:15]([CH3:16])=[O:17])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1>>[NH2:1][c:2]1[n:3][c:4]([NH:19][CH2:20][c:21]2[n:22][cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]2[Cl:27])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 80711,2-DimethoxyethaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 11085087(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methanamineHCID 185076922-Amino-4-(furan-2-YL)-6-(methylsulfinyl)pyrimidine-5-carbonitrile

Product 1

HCID 185072902-Amino-4-[(3-chloro-5-trifluoromethyl-pyridin-2-yl-methyl)-amino]-6-furan-2-yl-pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-cfc084a764b74d098310dcef67e85a0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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