Bicarbonate Ion → HCID 178472934, compound

HRID 149504Notes

Reaction equation

HRID 149504 reaction equation
[CH3:27][S:28]([O:29][CH2:32][CH2:33][C:34]1([c:55]2[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]2)[CH2:35][N:36]([C:39]([c:40]2[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)=[O:54])[CH2:37][O:38]1)(=[O:30])=[O:31].[CH3:62][C:63]#[N:64].[NH:6]1[CH2:7][CH2:8][C:9]2([CH:10]([O:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[CH2:25][CH2:26]1.[Na+:1].[OH:2][C:3](=[O:4])[O-:5]>>[N:6]1([CH2:32][CH2:33][C:34]2([c:55]3[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]3)[CH2:35][N:36]([C:39]([c:40]3[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)=[O:54])[CH2:37][O:38]2)[CH2:7][CH2:8][C:9]2([CH:10]([O:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[CH2:25][CH2:26]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 123660153HCID 123660153, compoundHCID 178472932HCID 178472932, compound

Product 1

HCID 178472934HCID 178472934, compound

Sources & evidence

ORD record
ord-92ecce1cb16f47008589c5f9ada742c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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