Ethanol → Ethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

HRID 92485

Reaction equation

HRID 92485 reaction equation
[C:27]([NH:28][NH2:29])(=[O:30])[c:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[CH3:40][CH2:41][OH:42].[Cl:37][CH2:38][Cl:39].[O:15]=[C:16]1[NH:20][CH2:19][CH2:18][CH2:17][CH:21]1[C:22](=[O:23])[O:24][CH2:25][CH3:26].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[n:8]3[c:9]([n:10][n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[n:8]3[c:9]([n:10][n:11]2)[CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:12][CH2:13][CH2:14]3)[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 3767IsoniazidHCID 6344DichloromethaneHCID 977733-Carbethoxy-2-piperidoneHCID 8531463-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Product 1

HCID 57837993Ethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

Sources & evidence

ORD record
ord-27287bc1434c40c2b076d7c4ea0fd631
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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