Bicarbonate Ion → HCID 22936235, compound

HRID 1144910Notes

Reaction equation

HRID 1144910 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:25][CH2:26][CH2:27][CH:28]4[CH2:29][CH2:30][N:31]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:32][CH2:33]4)[c:20]([C:23]#[N:24])[cH:21][c:22]23)[cH:41][cH:42][c:43]1[NH:44][C:45](=[O:46])[NH:47][CH:48]1[CH2:49][CH2:50]1.[Na+:55].[OH2:62].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:25][CH2:26][CH2:27][CH:28]4[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]4)[c:20]([C:23]#[N:24])[cH:21][c:22]23)[cH:41][cH:42][c:43]1[NH:44][C:45](=[O:46])[NH:47][CH:48]1[CH2:49][CH2:50]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 22936999HCID 22936999, compound

Product 1

HCID 22936235HCID 22936235, compound

Sources & evidence

ORD record
ord-73761cc4a2ca44bfbda8c4d96cdc8cfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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