Benzyl Alcohol → 5-(4-Fluorophenyl)-1-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide

HRID 160416Notes

Reaction equation

HRID 160416 reaction equation
[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[ClH:50].[H:56][H:57].[Na+:49].[OH-:48].[OH2:58].[OH:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[S:51](=[O:52])(=[O:53])([OH:54])[OH:55].[c:1]1([NH:7][C:8](=[O:9])[c:10]2[c:11]([CH:37]([CH3:38])[CH3:39])[n:12]([CH2:28][CH2:29][CH:30]3[O:31][C:32](=[O:36])[CH:33]=[CH:34][CH2:35]3)[c:13](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8](=[O:9])[c:10]2[c:11]([CH:37]([CH3:38])[CH3:39])[n:12]([CH2:28][CH2:29][CH:30]3[O:31][C:32](=[O:36])[CH2:33][CH:34]([OH:40])[CH2:35]3)[c:13](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 244Benzyl AlcoholHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 1140TolueneHCID 22894764HCID 22894764, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 139236645-(4-Fluorophenyl)-1-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide

Sources & evidence

ORD record
ord-6b300a0d6fc048629c895b9df61fa174
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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