Hydrochloric Acid → HCID 23159916, compound

HRID 678486Notes

Reaction equation

HRID 678486 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:16][c:17]2[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]3[cH:24][c:25]([F:36])[c:26]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:27][cH:28]3)[cH:37][cH:38]2)[c:8](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:9]1.[CH3:42][OH:43].[ClH:41].[Na+:40].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:39].[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:16][c:17]2[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]3[cH:24][c:25]([F:36])[c:26]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28]3)[cH:37][cH:38]2)[c:8](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23159891ethyl 3-[4-({4-[(3-tert-butyl-5-phenyl-1H-pyrazol-1-yl)methyl]benzyl}oxy)-2-fluorophenyl]propanoate

Product 1

HCID 23159916HCID 23159916, compound

Sources & evidence

ORD record
ord-b4e0c577d4054e5d80fbf0dd66c4f727
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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