Ethanol → 6-amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

HRID 303322

Reaction equation

HRID 303322 reaction equation
[CH3:35][CH2:36][OH:37].[NH2:1][C:2]1([C:30]([O:31][CH2:32][CH3:33])=[O:34])[c:3]2[n:4]([c:21]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[n:22][n:23]2)-[c:5]2[c:6]([cH:16][c:17]([CH2:19][CH3:20])[s:18]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1.[OH2:38]>>[NH2:1][CH:2]1[c:3]2[n:4]([c:21]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[n:22][n:23]2)-[c:5]2[c:6]([cH:16][c:17]([CH2:19][CH3:20])[s:18]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1

Participants

4

Reactant 3

HCID 702EthanolHCID 962WaterHCID 54151212ethyl (6-amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)carboxylate

Product 1

HCID 189175746-amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

Sources & evidence

ORD record
ord-e1e6251c72cc41e8b73243335e1dfad2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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