Bicarbonate Ion → HCID 68467472, compound

HRID 162699Notes

Reaction equation

HRID 162699 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][c:19]([CH2:29][O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:37][c:38]2[F:39])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:47](=[O:48])([OH:49])[O-:50].[Na+:51].[OH2:52].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][c:19]([CH2:29][O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:37][c:38]2[F:39])[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 68467496HCID 68467496, compound

Product 1

HCID 68467472HCID 68467472, compound

Sources & evidence

ORD record
ord-3d084d18dfa8421680a1a8332e7a9cdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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