Phosphorus oxychloride → 5-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaene

HRID 1537871Notes

Reaction equation

HRID 1537871 reaction equation
[O:1]=[c:2]1[cH:3][c:4]2[c:5]([n:6][nH:7]1)-[c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[CH2:10][CH2:11][CH2:12]2.[P:17]([Cl:18])([Cl:19])([Cl:20])=[O:21]>>[c:2]1([Cl:19])[cH:3][c:4]2[c:5]([n:6][n:7]1)-[c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[CH2:10][CH2:11][CH2:12]2

Participants

3

Reactant 2

HCID 24813Phosphorus oxychlorideHCID 141261586,7-dihydro-2H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3(5H)-one

Product 1

HCID 141261595-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaene

Sources & evidence

ORD record
ord-6e2db03543be4de28207724d76f05cee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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