3-(Prop-2-ynyloxy)pyridine → 4-(2-Chloro-phenyl)-9-methyl-2-[3-(pyridin-3-yloxy)-prop-1-ynyl]-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulene

HRID 2129389Notes

Reaction equation

HRID 2129389 reaction equation
[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([I:18])[s:17]3)[cH:4][cH:5][cH:6][cH:7]1.[n:23]1[cH:24][c:25]([O:29][CH2:30][C:31]#[CH:32])[cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([C:32]#[C:31][CH2:30][O:29][c:25]2[cH:24][n:23][cH:28][cH:27][cH:26]2)[s:17]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 114236223-(Prop-2-ynyloxy)pyridineHCID 148519244-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

Product 1

HCID 442734294-(2-Chloro-phenyl)-9-methyl-2-[3-(pyridin-3-yloxy)-prop-1-ynyl]-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulene

Sources & evidence

ORD record
ord-4d8d2db17645494c996e749e6706ada5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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