Ethanol → HCID 178421450, compound

HRID 2319555Notes

Reaction equation

[BH4-:44].[CH3:51][CH2:52][OH:53].[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:43])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH:27]([CH2:31][S:32][c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[CH2:28][CH2:29][CH2:30]3)[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:54]>>[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:43])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH:27]([CH2:31][S:32][c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[CH2:28][CH2:29][CH2:30]3)[CH:12]2[CH:13]2[CH2:14][CH2:15][CH:16]([OH:20])[C:17]2([CH3:18])[CH2:19]1

Participants

Reactant 6

HCID 702Ethanol

HCID 923Sodium ion

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 28123Borohydride

HCID 17842144911-fluoro-3-hydroxy-13-methyl-7-[5-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidin-1-yl]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Product 1

HCID 178421450HCID 178421450, compound

Sources & evidence

ORD record: ord-a1ffdf0fb631465580a66de4dbb9e27a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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