Bicarbonate Ion → HCID 57148387, compound

HRID 1132632Notes

Reaction equation

HRID 1132632 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16](=[O:17])[NH:18][C:19]1([c:22]2[c:23]([F:51])[cH:24][c:25]3[c:26](=[O:50])[c:27]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:28][n:29]([CH:33]([CH2:34][N:35]([CH3:36])[C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH3:44])[c:30]3[c:31]2[F:32])[CH2:20][CH2:21]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na+:58].[OH2:63].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:59][C:60](=[O:61])[O-:62]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16](=[O:17])[NH:18][C:19]1([c:22]2[c:23]([F:51])[cH:24][c:25]3[c:26](=[O:50])[c:27]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:28][n:29]([CH:33]([CH2:34][NH:35][CH3:36])[CH3:44])[c:30]3[c:31]2[F:32])[CH2:20][CH2:21]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178469774HCID 178469774, compound

Product 1

HCID 57148387HCID 57148387, compound

Sources & evidence

ORD record
ord-d5bd580fecb14d50a421fb12c4f649c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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