Dichloromethane → N2-[3-(aminomethyl)benzyl]-5-nitro-N4-[(trans-4-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-2,4-diamine

HRID 801097Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 57885727[3-({5-Nitro-4-[(4-pyrrolidin-1-yl-cyclohexylmethyl)amino]-pyrimidin-2-ylamino}-methyl)-benzyl]-carbamic acid tert-butyl ester

Product 1

HCID 57885645N2-[3-(aminomethyl)benzyl]-5-nitro-N4-[(trans-4-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-2,4-diamine

Sources & evidence

ORD record: ord-c29c6fb995d94e52961b8a44580b686d
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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