Sodium ion → N4-[(trans-4-aminocyclohexyl)methyl]-5-nitro-N2-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine

HRID 317866Notes

Reaction equation

HRID 317866 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:25][CH2:26][c:27]3[c:28]4[cH:29][cH:30][cH:31][n:32][c:33]4[cH:34][cH:35][cH:36]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:37].[C:45](=[O:46])([O-:47])[O-:48].[Cl:51][CH2:52][Cl:53].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[Na+:49].[Na+:50]>>[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:25][CH2:26][c:27]3[c:28]4[cH:29][cH:30][cH:31][n:32][c:33]4[cH:34][cH:35][cH:36]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 57885717[4-({5-Nitro-2-[(quinolin-5-ylmethyl)-amino]-pyrimidin-4-ylamino}-methyl)-cyclohexyl]-carbamic acid tert-butyl ester

Product 1

HCID 57885743N4-[(trans-4-aminocyclohexyl)methyl]-5-nitro-N2-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-8e2216000a884c9f9d5c6b121c5a94ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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