Hydrochloric Acid → 7-Hydroxymethyl-4-phenylcoumarin

HRID 204359Notes

Reaction equation

HRID 204359 reaction equation
[BH4-:29].[CH2:21]([O:22][C:23]([Cl:24])=[O:25])[CH:26]([CH3:27])[CH3:28].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[ClH:31].[Na+:30].[OH2:37].[c:1]1(-[c:7]2[cH:8][c:9](=[O:20])[o:10][c:11]3[cH:12][c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9](=[O:20])[o:10][c:11]3[cH:12][c:13]([CH2:17][OH:18])[cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 62365Isobutyl chloroformateHCID 15780556HCID 15780556, compound

Product 1

HCID 157805577-Hydroxymethyl-4-phenylcoumarin

Sources & evidence

ORD record
ord-378de53274314f70b00dfd9e6242fcc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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