Hydrochloric Acid → HCID 21286381, compound

HRID 213659Notes

Reaction equation

HRID 213659 reaction equation
[C-:35]#[N:36].[ClH:24].[K:37][C:38]#[N:39].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[N:9]=[C:10]3[c:11]4[c:12]([cH:19][cH:20][c:21]([Cl:23])[cH:22]4)[CH2:13][CH2:14][CH:15]3[CH2:16][C:17]2=[O:18])[cH:6][cH:7]1.[Na+:28].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[OH2:40]>>[c:2]1([C:38]#[N:39])[cH:3][cH:4][c:5]([N:8]2[N:9]=[C:10]3[c:11]4[c:12]([cH:19][cH:20][c:21]([Cl:23])[cH:22]4)[CH2:13][CH2:14][CH:15]3[CH2:16][C:17]2=[O:18])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 946NitriteHCID 962WaterHCID 5975CyanideHCID 19660Carbonate IonHCID 212863822-(4-aminophenyl)-9-chloro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3(2H)-oneHCID 178511842HCID 178511842, compound

Product 1

HCID 21286381HCID 21286381, compound

Sources & evidence

ORD record
ord-1d8cdc10a10943ed99dbb0aef08ee2a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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