Ammonium → Hydrochloric Acid

HRID 692167Notes

Reaction equation

HRID 692167 reaction equation
[CH3:28][OH:29].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl-:1].[Cl:37][CH2:38][Cl:39].[Cl:5][c:6]1[cH:7][cH:8][c:9]([N:12]2[N:13]=[C:14]([C:23]([O:24][CH2:25][CH3:26])=[O:27])[CH2:15][CH:16]2[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:10][cH:11]1.[N:3]#[N:4].[NH4+:2]>>[ClH:1].[NH:2]=[C:23]([NH2:3])[C:14]1=[N:13][N:12]([c:9]2[cH:8][cH:7][c:6]([Cl:5])[cH:11][cH:10]2)[CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:15]1

Participants

9

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 947NitrogenHCID 1140TolueneHCID 6344DichloromethaneHCID 23730695Ethyl 1-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 116594121-(4-chlorophenyl)-5-phenyl-4,5-dihydro-(1H)-pyrazole-3-carboxamidine

Sources & evidence

ORD record
ord-2fbc5afbfd4e42129f0bd44bd1273bd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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