Bicarbonate Ion → 2-[(4R,6S)-6-[(1E)-2-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide

HRID 193445Notes

Reaction equation

HRID 193445 reaction equation
[C:62](=[O:63])([OH:64])[O-:65].[CH3:1][C:2]1([CH3:30])[O:3][CH:4]([CH2:15][S:16]([c:17]2[n:18](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:25][n:26][n:27]2)(=[O:28])=[O:29])[CH2:5][CH:6]([CH2:8][C:9](=[O:10])[N:11]([CH3:12])[O:13][CH3:14])[O:7]1.[CH3:52][Si:53]([N-:54][Si:55]([CH3:56])([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[c:39]([CH:50]=[O:51])[n:40]([CH:47]([CH3:48])[CH3:49])[c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]23)[cH:36][cH:37]1.[Li+:61].[Na+:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1>>[CH3:1][C:2]1([CH3:30])[O:3][CH:4]([CH:15]=[CH:50][c:39]2[c:38](-[c:35]3[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]3)[c:46]3[c:41]([n:40]2[CH:47]([CH3:48])[CH3:49])[cH:42][cH:43][cH:44][cH:45]3)[CH2:5][CH:6]([CH2:8][C:9](=[O:10])[N:11]([CH3:12])[O:13][CH3:14])[O:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 3280088Npc316347HCID 113120613-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole-2-carbaldehydeHCID 763741062-[(4R,6S)-2,2-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfonyl]methyl}-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide

Product 1

HCID 1695440902-[(4R,6S)-6-[(1E)-2-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide

Sources & evidence

ORD record
ord-4c4c4d8567624fb6b3fe01307792b8ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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