Bicarbonate Ion → HCID 178502693, compound

HRID 92975Notes

Reaction equation

HRID 92975 reaction equation
[C:63](=[O:64])([OH:65])[O-:66].[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.[CH3:53][Si:54]([N-:55][Si:56]([CH3:57])([CH3:58])[CH3:59])([CH3:60])[CH3:61].[CH:31]1([c:34]2[n:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[c:42](-[c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]3)[c:43]2[CH:44]=[O:45])[CH2:32][CH2:33]1.[Li+:62].[Na+:67].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1>>[CH3:1][C:2]1([CH3:30])[O:3][CH:4]([CH:15]=[CH:44][c:43]2[c:34]([CH:31]3[CH2:32][CH2:33]3)[n:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[c:42]2-[c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[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 99479742-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehydeHCID 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 178502693HCID 178502693, compound

Sources & evidence

ORD record
ord-6b9d7e3ca70547e1a88784c58d97e4bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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