Bicarbonate Ion → 2-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazole-5-carbaldehyde

HRID 2135347Notes

Reaction equation

HRID 2135347 reaction equation
[C:33](=[O:34])([O-:35])[OH:36].[CH3:38][C:39]#[N:40].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[s:27][c:28]([CH2:31][OH:32])[cH:29][n:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Na+:37]>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[s:27][c:28]([CH:31]=[O:32])[cH:29][n:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 59331583[2-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]methanol

Product 1

HCID 593312942-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazole-5-carbaldehyde

Sources & evidence

ORD record
ord-cb4de8d6820e4595b38f0051b7e77edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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