Benzene → 3-Chloro-1-(2-thienyl)-1-propanol

HRID 675726Notes

Reaction equation

HRID 675726 reaction equation
[BH4-:27].[C:39]([O:40][CH:41]=[CH2:42])(=[O:43])[CH2:44][CH2:45][CH3:46].[CH3:53][CH2:54][OH:55].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[Cl:17][CH2:18][CH2:19][C:20](=[O:21])[c:22]1[s:23][cH:24][cH:25][cH:26]1.[Cl:29][CH2:30][CH2:31][CH:32]([c:33]1[s:34][cH:35][cH:36][cH:37]1)[OH:38].[Cl:6][CH2:7][CH2:8][C:9]([Cl:10])=[O:11].[Na+:28].[Sn:12]([Cl:13])([Cl:14])([Cl:15])[Cl:16].[cH:1]1[cH:2][s:3][cH:4][cH:5]1.[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[Cl:17][CH2:18][CH2:19][CH:20]([OH:21])[c:22]1[s:23][cH:24][cH:25][cH:26]1

Participants

12

Reactant 11

HCID 241BenzeneHCID 702EthanolHCID 923Sodium ionHCID 8030ThiopheneHCID 8058HexaneHCID 24287Tin tetrachlorideHCID 28123BorohydrideHCID 31247Vinyl butyrateHCID 693643-Chloropropionyl chlorideHCID 75678553-Chloro-1-(2-thienyl)-1-propanoneHCID 116583743-Chloro-1-(2-thienyl)-1-propanol

Product 1

HCID 116583743-Chloro-1-(2-thienyl)-1-propanol

Sources & evidence

ORD record
ord-82f88395537d49c5b414baa3c7b21576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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