Hydrochloric Acid → N-(trans-4-{[(5-nitro-2-{[2-(trifluoromethoxy)benzyl]amino}pyrimidin-4-yl)amino]methyl}cyclohexyl)-2-pyridin-4-ylacetamide

HRID 1238295Notes

Reaction equation

HRID 1238295 reaction equation
[B-:43]([F:44])([F:45])([F:46])[F:47].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[ClH:32].[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:77]=[CH:78][N:79]([CH3:80])[CH3:81].[n:33]1[cH:34][cH:35][c:36]([CH2:39][C:40](=[O:41])[OH:42])[cH:37][cH:38]1.[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[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)[C:40]([CH2:39][c:36]1[cH:35][cH:34][n:33][cH:38][cH:37]1)=[O:41]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 342284-Pyridineacetic acidHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 16202211N4-(4-amino-cyclohexylmethyl)-5-nitro-N2-(2-trifluoromethoxy-benzyl)-pyrimidine-2,4-diamine

Product 1

HCID 25167714N-(trans-4-{[(5-nitro-2-{[2-(trifluoromethoxy)benzyl]amino}pyrimidin-4-yl)amino]methyl}cyclohexyl)-2-pyridin-4-ylacetamide

Sources & evidence

ORD record
ord-45ff74eb20634b2f9fe07ddb51badea5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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