Bicarbonate Ion → HCID 68920682, compound

HRID 2148005Notes

Reaction equation

HRID 2148005 reaction equation
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[n:21][c:22]([S:32]([CH3:33])(=[O:34])=[O:35])[c:23]3[C:24]([NH:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)=[O:31])[cH:4][cH:5][cH:6][cH:7]1.[Na+:45].[Na:36][C:37]#[N:38].[OH:46][C:47](=[O:48])[O-:49]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[n:21][c:22]([C:37]#[N:38])[c:23]3[C:24]([NH:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)=[O:31])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 67272830HCID 67272830, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 68920682HCID 68920682, compound

Sources & evidence

ORD record
ord-34cf5453b061433586e1b2f0a3979b6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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