Bicarbonate Ion → HCID 178439446, compound

HRID 174557Notes

Reaction equation

HRID 174557 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:60](=[O:61])([OH:62])[O-:63].[CH2:65]1[O:66][CH2:67][CH2:68][O:69][CH2:70]1.[Cl:15][c:16]1[c:17]([F:59])[cH:18][c:19]([CH:22]2[C:23]([CH3:51])([c:52]3[cH:53][n:54][c:55]([Cl:58])[cH:56][cH:57]3)[N:24]=[C:25]3[S:26][C:27]([C:33](=[O:34])[N:35]4[CH:36]([C:37](=[O:38])[N:39]5[CH2:40][CH2:41][NH:42][C:43]6([CH2:44][CH2:45]6)[CH2:46]5)[CH2:47][CH:48]([F:50])[CH2:49]4)=[C:28]([CH:30]([CH3:31])[CH3:32])[N:29]23)[cH:20][cH:21]1.[Na+:14].[Na+:64]>>[CH3:1][N:42]1[CH2:41][CH2:40][N:39]([C:37]([CH:36]2[N:35]([C:33]([C:27]3=[C:28]([CH:30]([CH3:31])[CH3:32])[N:29]4[CH:22]([c:19]5[cH:18][c:17]([F:59])[c:16]([Cl:15])[cH:21][cH:20]5)[C:23]([CH3:51])([c:52]5[cH:53][n:54][c:55]([Cl:58])[cH:56][cH:57]5)[N:24]=[C:25]4[S:26]3)=[O:34])[CH2:49][CH:48]([F:50])[CH2:47]2)=[O:38])[CH2:46][C:43]12[CH2:44][CH2:45]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 312751,4-DioxaneHCID 2724942TriacetoxyborohydrideHCID 178439445HCID 178439445, compound

Product 1

HCID 178439446HCID 178439446, compound

Sources & evidence

ORD record
ord-e059853f6ede49e7befb6f105571d567
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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