Dimethylformamide → 7-[(3,4-Difluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HRID 2127584Notes

Reaction equation

HRID 2127584 reaction equation
[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:65][CH2:66][Cl:67].[F:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[s:46]1[n:47][cH:48][n:49][c:50]1-[c:51]1[n:52][n:53][c:54]2[n:55]1[CH2:56][CH2:57][NH:58][CH2:59]2>>[F:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:7])[N:58]2[CH2:57][CH2:56][n:55]3[c:51](-[c:50]4[s:46][n:47][cH:48][n:49]4)[n:52][n:53][c:54]3[CH2:59]2)[cH:8][cH:9][c:10]1[F:11]

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8058HexaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 121376783,4-Difluoro-2-methylbenzoic acidHCID 665987953-(1,2,4-Thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Product 1

HCID 665990417-[(3,4-Difluoro-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-effdf7b56ce74cbf968a58e680249b61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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