Dimethylformamide → 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxolan-3-yloxy)benzamide

HRID 146773Notes

Reaction equation

HRID 146773 reaction equation
[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([O:23][CH:24]4[CH2:25][O:26][CH2:27][CH2:28]4)[cH:22]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1.[NH2:53][c:54]1[s:55][cH:56][c:57]([CH3:59])[n:58]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:19])[NH:53][c:54]4[s:55][cH:56][c:57]([CH3:59])[n:58]4)[cH:20][c:21]([O:23][CH:24]4[CH2:25][O:26][CH2:27][CH2:28]4)[cH:22]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 741432-Amino-4-methylthiazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673151573-[5-(Azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(oxolan-3-yloxy)benzoic acid

Product 1

HCID 732240793-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxolan-3-yloxy)benzamide

Sources & evidence

ORD record
ord-e3550e0bc6df48c3af537c78b42fdaa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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