Dichloromethane → cis-4-{[5-Nitro-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexanol

HRID 142701Notes

Reaction equation

HRID 142701 reaction equation
[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:23][C:24]#[N:25])[n:6][c:7]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:8][cH:9]1.[NH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH:31]([OH:34])[CH2:32][CH2:33]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:26][CH2:27][CH:28]2[CH2:29][CH2:30][CH:31]([OH:34])[CH2:32][CH2:33]2)[n:6][c:7]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:8][cH:9]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 148675294-(Aminomethyl)cyclohexan-1-olHCID 57885541(5-Nitro-4-thiocyanato-pyrimidin-2-yl)-(2-trifluoromethoxy-benzyl)-amine

Product 1

HCID 57885542cis-4-{[5-Nitro-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexanol

Sources & evidence

ORD record
ord-ecb64936f68d482a9ff88c01626bd7bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…