Water → 2-(6-{[(Ethylamino)carbonyl]amino}pyridin-3-yl)-N-(1-methyl-1-phenylethyl)-1,3-thiazole-5-carboxamide

HRID 142825Notes

Reaction equation

HRID 142825 reaction equation
[C:52]([CH3:53])([CH3:54])([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[NH2:61].[CH2:25]([CH3:26])[NH:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[s:38][c:39]([C:42](=[O:43])[OH:44])[cH:40][n:41]2)[cH:35][n:36]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH2:25]([CH3:26])[NH:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[s:38][c:39]([C:42](=[O:44])[NH:61][C:52]([CH3:53])([CH3:54])[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:40][n:41]2)[cH:35][n:36]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 68509CumylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 251261342-(6-{[(Ethylamino)carbonyl]amino}pyridin-3-yl)-1,3-thiazole-5-carboxylic acid

Product 1

HCID 592084552-(6-{[(Ethylamino)carbonyl]amino}pyridin-3-yl)-N-(1-methyl-1-phenylethyl)-1,3-thiazole-5-carboxamide

Sources & evidence

ORD record
ord-0c1d849cfed5420da3571dd8df2be54a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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