Bicarbonate Ion → HCID 53643909, compound

HRID 201017Notes

Reaction equation

HRID 201017 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]=[CH:6][C:7]1=[C:8]([C:24](=[O:25])[O:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:9]2[C:10](=[O:23])[CH:11]([NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH:12]2[S:13][CH2:14]1.[C:52](=[O:53])([OH:54])[O-:55].[CH3:57][C:58]#[N:59].[Na+:56].[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]=[CH:6][C:7]1=[C:8]([C:24](=[O:25])[O:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:9]2[C:10](=[O:23])[CH:11]([NH2:15])[CH:12]2[S:13][CH2:14]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 70554645HCID 70554645, compound

Product 1

HCID 53643909HCID 53643909, compound

Sources & evidence

ORD record
ord-705417a0730d436cb02d5c71bebcb83d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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