Ammonium → Hydrochloric Acid

HRID 187577Notes

Reaction equation

HRID 187577 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:44]([OH:45])[CH3:46].[Cl:47][CH2:48][Cl:49].[ClH:43].[NH4+:41].[NH4+:42].[c:1]1([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:43].[c:1]1([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]([NH2:26])=[NH:41])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 6

HCID 223Ammonium2×HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 184125221-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide

Product 2

HCID 313Hydrochloric AcidHCID 18412554ethyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

Sources & evidence

ORD record
ord-4139c0a73494421eb32c327cdb64a267
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…