Bicarbonate Ion → HCID 67072112, compound

HRID 91723Notes

Reaction equation

HRID 91723 reaction equation
[C:63](=[O:64])([O-:65])[OH:66].[CH2:1]([O:2][C:3](=[O:4])[C:5]([O:6][c:7]1[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]([NH2:16])[cH:17]1)([CH3:18])[CH3:19])[CH3:20].[CH2:21]([CH3:22])[O:23][C:24]([C:25]([CH3:26])([CH3:27])[O:28][c:29]1[cH:30][c:31]([NH:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)=[O:47].[CH3:48][C:49]([O:50][C:51]([O:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])=[O:60])([CH3:61])[CH3:62].[Na+:67].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[OH2:68]>>[CH3:1][N:39]([c:31]1[cH:30][c:29]([O:28][C:25]([C:24]([O:23][CH2:21][CH3:22])=[O:47])([CH3:26])[CH3:27])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]1)[C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 90495Di-tert-butyl dicarbonateHCID 670722752-(3-Tert-butoxycarbonylamino-5-trifluoromethyl-phenoxy)-2-methyl-propionic acid ethyl esterHCID 670724252-(3-Amino-5-trifluoromethyl-phenoxy)-2-methyl-propionic acid ethyl ester

Product 1

HCID 67072112HCID 67072112, compound

Sources & evidence

ORD record
ord-a9ad7acfce4a4b5d8dbdd47fe7d43a5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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