Hydrochloric Acid → 2-(6-{(Naphthalene-2-sulfonyl)-[2-(2-oxopyrrolidin-1-yl)ethyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylic acid

HRID 86846

Reaction equation

HRID 86846 reaction equation
[CH3:41][CH2:42][O-:43].[CH3:48][CH2:49][OH:50].[ClH:44].[NH2:45][OH:46].[Na+:40].[OH2:47].[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]([CH:15]2[CH:16]3[CH2:17][N:18]([c:21]4[n:22][cH:23][c:24]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:25][n:26]4)[CH2:19][CH:20]23)[CH2:32][CH2:33][N:34]2[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]([CH:15]2[CH:16]3[CH2:17][N:18]([c:21]4[n:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][n:26]4)[CH2:19][CH:20]23)[CH2:32][CH2:33][N:34]2[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 923Sodium ionHCID 962WaterHCID 1194401-Hydroxyethyl radicalHCID 59367586Ethyl 2-(6-{(naphthalene-2-sulfonyl)-[2-(2-oxopyrrolidin-1-yl)ethyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylate

Product 1

HCID 593676352-(6-{(Naphthalene-2-sulfonyl)-[2-(2-oxopyrrolidin-1-yl)ethyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylic acid

Sources & evidence

ORD record
ord-5c2216d235c345bab32960066b3d8d2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…