Ammonium → Hydrochloric Acid

HRID 122553Notes

Reaction equation

HRID 122553 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]([CH3:41])[n:14](-[c:33]3[cH:34][cH:35][c:36]([C:39]#[N:40])[cH:37][cH:38]3)[c:15](=[O:32])[c:16]2[C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:10][cH:11]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][OH:50].[ClH:1].[NH4+:46].[NH4+:47]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]([CH3:41])[n:14](-[c:33]3[cH:34][cH:35][c:36]([C:39]([NH2:40])=[NH:46])[cH:37][cH:38]3)[c:15](=[O:32])[c:16]2[C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:10][cH:11]1.[ClH:1]

Participants

7

Reactant 5

HCID 223Ammonium2×HCID 313Hydrochloric AcidHCID 702EthanolHCID 19660Carbonate IonHCID 154355023-(4-t-Butylphenyl)-4-{[4-(ethoxycarbonylmethyloxy)-1-piperidinyl]carbonyl}-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one

Product 2

HCID 313Hydrochloric AcidHCID 154355031-(4-amidinophenyl)-3-(4-t-butylphenyl)-4-{[4-(ethoxycarbonylmethyloxy)-1-piperidinyl]carbonyl}-2-methyl-2H-pyrazol-5-one

Sources & evidence

ORD record
ord-4391f4d9814b4438a3e02a9d369d086d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…