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

HRID 2153055Notes

Reaction equation

HRID 2153055 reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][OH:48].[Cl:22][c:23]1[c:24]([CH3:32])[c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][cH:31]1.[Cl:38][CH2:39][Cl:40].[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[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]([CH3:32])[c:23]([Cl:22])[cH:31][cH:30][cH:29]1)=[O:27])[CH2:14]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 193677723-Chloro-2-methylbenzoyl chlorideHCID 66598795HCID 66598795, compound

Product 1

HCID 665989727-[(3-Chloro-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-d0e58d3543dc4c3792c0ca25de0586ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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