Sodium ion → (4-{[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-1-piperidinyl)acetic acid

HRID 303199Notes

Reaction equation

HRID 303199 reaction equation
[CH:40]([OH:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH2:36][CH3:37])[c:19]([CH2:23][CH:24]4[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:15][s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:39].[OH-:38].[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH2:36][CH3:37])[c:19]([CH2:23][CH:24]4[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[OH:33])[CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:15][s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 58494152HCID 58494152, compound

Product 1

HCID 58494116(4-{[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-1-piperidinyl)acetic acid

Sources & evidence

ORD record
ord-4621dc6bb45a48d283904e5f60b03aa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…