Ethanol → N-(4-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-6-{methyl[(2-methylcyclopropyl)methyl]amino}pyridin-2-yl)-N-propylmethanesulfonamide

HRID 2152146Notes

Reaction equation

HRID 2152146 reaction equation
[CH2:1]([C:2]([NH:3][C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])[CH2:12][O:13][CH2:14][c:15]1[cH:16][c:17]([N:18]([S:19]([CH3:20])(=[O:21])=[O:22])[CH2:23][CH2:24][CH3:25])[n:26][c:27]([Cl:28])[cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH2:43]=[O:44].[CH3:36][NH:37][CH2:38][CH:39]1[CH2:40][CH:41]1[CH3:42].[CH3:92][OH:93].[CH3:98][CH2:99][OH:100].[Cl:94][CH:95]([Cl:96])[CH3:97].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[NH2:52][C:53]([CH2:54][O:55][CH2:56][c:57]1[cH:58][c:59]([N:76]([S:77](=[O:78])(=[O:79])[CH3:80])[CH2:81][CH2:82][CH3:83])[n:60][c:61]([N:63]([CH2:64][CH:65]2[CH:66]([CH3:68])[CH2:67]2)[CH2:69][c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:62]1)([CH2:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH3:91]>>[NH2:52][C:53]([CH2:54][O:55][CH2:56][c:57]1[cH:58][c:59]([N:76]([S:77](=[O:78])(=[O:79])[CH3:80])[CH2:81][CH2:82][CH3:83])[n:60][c:61]([N:63]([CH2:64][CH:65]2[CH:66]([CH3:68])[CH2:67]2)[CH3:69])[cH:62]1)([CH2:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH3:91]

Participants

9

Reactant 8

HCID 702EthanolHCID 712FormaldehydeHCID 887MethanolHCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 11467174N-(4-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-6-{benzyl[(2-methylcyclopropyl)methyl]amino}pyridin-2-yl)-N-propylmethanesulfonamideHCID 43163690Methyl[(2-methylcyclopropyl)methyl]amineHCID 58856338Tert-butyl [1-benzyl-2-({2-chloro-6-[(methylsulfonyl)(propyl)amino]pyridin-4-yl}methoxy)-1-methylethyl]carbamate

Product 1

HCID 11225561N-(4-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-6-{methyl[(2-methylcyclopropyl)methyl]amino}pyridin-2-yl)-N-propylmethanesulfonamide

Sources & evidence

ORD record
ord-5f74395f6c0443998b8cd67c416021a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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