Bicarbonate Ion → HCID 67070321, compound

HRID 1546797Notes

Reaction equation

HRID 1546797 reaction equation
[C:45]([BH3-:46])#[N:47].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[F:39][C:40]([CH:41]=[O:42])([F:43])[F:44].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60].[NH2:1][c:2]1[c:3]([F:37])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([O:33][CH3:34])[c:11]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:12][c:13](-[c:15]3[c:16]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:17][cH:18][cH:19][cH:20]3)[cH:14]2)[cH:35][cH:36]1.[Na+:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:38].[OH2:61]>>[NH:1]([c:2]1[c:3]([F:37])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([O:33][CH3:34])[c:11]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:12][c:13](-[c:15]3[c:16]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:17][cH:18][cH:19][cH:20]3)[cH:14]2)[cH:35][cH:36]1)[CH2:41][C:40]([F:39])([F:43])[F:44]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962Water2×HCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 65564TrifluoroacetaldehydeHCID 498716Cyano-borohydrideHCID 67070070HCID 67070070, compound

Product 1

HCID 67070321HCID 67070321, compound

Sources & evidence

ORD record
ord-a0a23fb4336545338cf83db952d29998
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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