Bicarbonate Ion → HCID 178510001, compound

HRID 2312914Notes

Reaction equation

HRID 2312914 reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:20][c:21]1[n:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1.[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][c:8]2[c:9]3[c:10]([n:11][cH:12][c:13]2[C:14](=[O:15])[NH2:16])[nH:17][cH:18][n:19]3)[CH2:5][CH2:6]1.[Na+:51].[OH:52][C:53](=[O:54])[O-:55]>>[N:1]1([c:21]2[n:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]2)[CH2:2][CH2:3][CH:4]([NH:7][c:8]2[c:9]3[c:10]([n:11][cH:12][c:13]2[C:14](=[O:15])[NH2:16])[nH:17][cH:18][n:19]3)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 51520946-Chloro-3-pyridinecarbonitrileHCID 178513741HCID 178513741, compound

Product 1

HCID 178510001HCID 178510001, compound

Sources & evidence

ORD record
ord-46614dc806ca4fa5bb331948cc18bef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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