Ammonium → 4-(3-Chloro-phenyl)-2-{4-methoxy-2-nitro-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenylamino}-thiazole-5-carboxylic acid amide

HRID 1543443Notes

Reaction equation

HRID 1543443 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl-:45].[Cs+:43].[Cs+:44].[F:1][c:2]1[c:3]([N+:20](=[O:21])[O-:22])[cH:4][c:5]([O:18][CH3:19])[c:6]([O:7][CH2:8][CH2:9][O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:17]1.[NH2:23][c:24]1[s:25][c:26]([C:36](=[O:37])[NH2:38])[c:27](-[c:29]2[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]2)[n:28]1.[NH4+:46]>>[c:2]1([NH:23][c:24]2[s:25][c:26]([C:36](=[O:37])[NH2:38])[c:27](-[c:29]3[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]3)[n:28]2)[c:3]([N+:20](=[O:21])[O-:22])[cH:4][c:5]([O:18][CH3:19])[c:6]([O:7][CH2:8][CH2:9][O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:17]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 166588232-Amino-4-(3-chlorophenyl)thiazole-5-carboxamideHCID 67428436HCID 67428436, compound

Product 1

HCID 866428404-(3-Chloro-phenyl)-2-{4-methoxy-2-nitro-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenylamino}-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-1b6b2a02d11b42cf83120eb6e0b8f35f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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