Acetic Acid → HCID 12468024, compound

HRID 1122440Notes

Reaction equation

HRID 1122440 reaction equation
[CH3:22][C:23]([OH:24])=[O:25].[CH3:26][OH:27].[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)-[c:7]1[n:6]([n:13][c:12]([CH3:14])[n:11]1)[C:5]2([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:24])[c:8](-[c:7]2[n:6][nH:13][c:12]([CH3:14])[n:11]2)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 124680237-Chloro-2-methyl-5-phenyl-5H-[1,2,4]triazolo[5,1-a]isoindol-5-amine

Product 1

HCID 12468024HCID 12468024, compound

Sources & evidence

ORD record
ord-e558140d95ae4c6a9b3b779da0b2c95d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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