Dichloromethane → 4-[4-(Pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide

HRID 694052Notes

Reaction equation

HRID 694052 reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:44][CH2:45][Cl:46].[N:27](=[C:28]=[O:29])[c:30]1[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1.[n:1]1[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[c:10]([N:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[n:11][s:12][n:13]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[c:10]([N:14]3[CH2:15][CH2:16][N:17]([C:28]([NH:27][c:30]4[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]4)=[O:29])[CH2:18][CH2:19]3)[n:11][s:12][n:13]2)[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27333143,5-Bis(trifluoromethyl)phenyl isocyanateHCID 590139513-Piperazin-1-yl-4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazole

Product 1

HCID 98717044-[4-(Pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-c69b5b74194048c690d95c66b86328c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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