Hydrochloric Acid → 1-[3-[[4-Carboxy-1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxycyclobutane-1-carboxylic acid

HRID 134046Notes

Reaction equation

HRID 134046 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[c:22]2[n:23][n:24](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:25]([O:27][C:28]3([C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:29][CH2:30][CH2:31]3)[cH:26]2)=[O:43])[CH2:10][CH2:11]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[ClH:46].[Na+:45].[OH-:44]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[c:22]2[n:23][n:24](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:25]([O:27][C:28]3([C:32](=[O:33])[OH:34])[CH2:29][CH2:30][CH2:31]3)[cH:26]2)=[O:43])[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66920242Pmid22984835C4

Product 1

HCID 669201791-[3-[[4-Carboxy-1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxycyclobutane-1-carboxylic acid

Sources & evidence

ORD record
ord-77dcd8b1cb7c4cb7964ee68d88f040a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…