Bicarbonate Ion → HCID 66970750, compound

HRID 2312003Notes

Reaction equation

HRID 2312003 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[c:14]2[n:15][c:16]([NH:23][CH:24]([CH3:25])[c:26]3[cH:27][n:28][cH:29][cH:30][cH:31]3)[c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]2)[cH:32][cH:33][c:34]([O:36][CH3:37])[cH:35]1.[CH3:51][OH:52].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Na+:44].[Na+:45].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[OH2:58].[S:38]([S:39]([O-:40])=[O:41])([O-:42])=[O:43]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[c:14]2[n:15][c:16]([NH:23][CH:24]([CH3:25])[c:26]3[cH:27][n:28][cH:29][cH:30][cH:31]3)[c:17]([NH2:20])[cH:18][cH:19]2)[cH:32][cH:33][c:34]([O:36][CH3:37])[cH:35]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 962WaterHCID 1086DithioniteHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 66970469HCID 66970469, compound

Product 1

HCID 66970750HCID 66970750, compound

Sources & evidence

ORD record
ord-a58e1663a20040d2aee9aff96ba891eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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