Potassium Cation → HCID 178509205, compound

HRID 194292Notes

Reaction equation

HRID 194292 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[K+:41].[K+:42].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[n:17][n:18]4[c:19]([cH:20][cH:21][cH:22][c:23]4-[c:24]4[cH:25][n:26][n:27]([CH2:29][CH2:30][O:31][S:32]([CH3:33])(=[O:34])=[O:35])[cH:28]4)[n:36]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:43][c:44]1[n:45][nH:46][c:47]([SH:49])[n:48]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[n:17][n:18]4[c:19]([cH:20][cH:21][cH:22][c:23]4-[c:24]4[cH:25][n:26][n:27]([CH2:29][CH2:30][S:49][c:47]5[n:46][n:45][c:44]([NH2:43])[nH:48]5)[cH:28]4)[n:36]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 59589683Methanesulfonic acid 2-(4-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl}-pyrazol-1-yl)-ethyl esterHCID 1785092965-amino-1H-1,2,4-triazole-3-thiol

Product 1

HCID 178509205HCID 178509205, compound

Sources & evidence

ORD record
ord-e2282959ddb8444cb4abb90836b001f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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