Water → 1-[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]-2-(methylsulfonyl)ethanol

HRID 167796

Reaction equation

HRID 167796 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[CH3:5].[CH3:6][Si:7]([CH3:8])([CH3:9])[N-:10][Si:11]([CH3:12])([CH3:13])[CH3:14].[CH:16]1([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH:28]([CH2:29][CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:36]3[cH:37][cH:38][c:39](-[c:41]4[cH:42][cH:43][c:44]([CH:47]=[O:48])[cH:45][n:46]4)[nH:40]3)[cH:26][cH:27]2)[CH2:17][CH2:18]1.[Li+:15].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:49]>>[CH2:1]([S:2](=[O:3])(=[O:4])[CH3:5])[CH:47]([c:44]1[cH:43][cH:42][c:41](-[c:39]2[cH:38][cH:37][c:36]([CH:28]([c:25]3[cH:24][cH:23][c:22]([S:19]([CH:16]4[CH2:17][CH2:18]4)(=[O:20])=[O:21])[cH:27][cH:26]3)[CH2:29][CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[nH:40]2)[n:46][cH:45]1)[OH:48]

Participants

7

Reactant 6

HCID 962WaterHCID 6213Dimethyl SulfoneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 3280088Npc316347HCID 593314196-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carbaldehyde

Product 1

HCID 593314871-[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]-2-(methylsulfonyl)ethanol

Sources & evidence

ORD record
ord-fac7b15233644bf18c8df7002dfdfde0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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