Hydrochloric Acid → HCID 59716584, compound

HRID 696012Notes

Reaction equation

HRID 696012 reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[ClH:54].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[c:25]1(-[n:31]2[n:32][n:33][n:34][c:35]2[Cl:36])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[n:15](-[c:35]2[n:31](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[n:32][n:33][n:34]2)[n:16]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 842621H-Tetrazole, 5-chloro-1-phenyl-HCID 111641617,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 59716584HCID 59716584, compound

Sources & evidence

ORD record
ord-8dd4bbe392564af4a3fcdcfa16ec2b06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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