Dimethyl Sulfoxide → 4-(4-{[5-Nitro-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexylamino)-butyric acid methyl ester

HRID 285817Notes

Reaction equation

HRID 285817 reaction equation
[CH3:41][O:42][C:43]([CH2:44][CH2:45][CH2:46][I:47])=[O:48].[CH3:54][S:55]([CH3:56])=[O:57].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1)[CH2:46][CH2:45][CH2:44][C:43]([O:42][CH3:41])=[O:48]

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 547991Methyl 4-iodobutanoateHCID 16202211N4-(4-amino-cyclohexylmethyl)-5-nitro-N2-(2-trifluoromethoxy-benzyl)-pyrimidine-2,4-diamine

Product 1

HCID 578856074-(4-{[5-Nitro-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexylamino)-butyric acid methyl ester

Sources & evidence

ORD record
ord-36a6898c7f33496a973df12971e65f3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…