Bicarbonate Ion → HCID 59006376, compound

HRID 672879Notes

Reaction equation

HRID 672879 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH3:12][CH2:13][O:14][C:15](=[O:16])[CH3:17].[CH3:26][O:27][CH:28]([CH2:29][NH:30][CH:31]1[CH2:32][CH2:33][N:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:35][CH2:36]1)[O:44][CH3:45].[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[Cl:1][C:2]([Cl:3])=[O:4].[Cl:51][CH2:52][Cl:53].[NH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[F:25].[Na+:50]>>[C:2](=[O:4])([NH:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[F:25])[N:30]([CH2:29][CH:28]([O:27][CH3:26])[O:44][CH3:45])[CH:31]1[CH2:32][CH2:33][N:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:35][CH2:36]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8857Ethyl AcetateHCID 95842-FluoroanilineHCID 59006342HCID 59006342, compound

Product 1

HCID 59006376HCID 59006376, compound

Sources & evidence

ORD record
ord-7b8f59e52a654b4bac26d35e0a01cae2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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