Bicarbonate Ion → 7-[(3-Chloro-4-fluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HRID 197187Notes

Reaction equation

HRID 197187 reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][OH:49].[Cl:22][c:23]1[c:24]([CH3:33])[c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][c:31]1[F:32].[Cl:39][CH2:40][Cl:41].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[s:1]1[n:2][cH:3][n:4][c:5]1-[c:6]1[n:7][n:8][c:9]2[n:10]1[CH2:11][CH2:12][NH:13][CH2:14]2>>[s:1]1[n:2][cH:3][n:4][c:5]1-[c:6]1[n:7][n:8][c:9]2[n:10]1[CH2:11][CH2:12][N:13]([C:26]([c:25]1[c:24]([CH3:33])[c:23]([Cl:22])[c:31]([F:32])[cH:30][cH:29]1)=[O:27])[CH2:14]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 665987953-(1,2,4-Thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazineHCID 866667393-Chloro-4-fluoro-2-methylbenzoyl chloride

Product 1

HCID 665994327-[(3-Chloro-4-fluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Sources & evidence

ORD record
ord-155c2eb6050d4802ac8d2af620b91dbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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