Bicarbonate Ion → HCID 68525449, compound

HRID 2142955Notes

Reaction equation

HRID 2142955 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)[N:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:23][c:24]3[cH:25][cH:26][c:27]([O:30][S:31]([CH3:32])(=[O:33])=[O:34])[cH:28][n:29]3)[cH:35][cH:36]2)[CH2:15][CH2:16]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[F:37][C:38]([c:39]1[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]1)([F:46])[F:47].[Na+:52]>>[CH2:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)[N:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:23][c:24]3[cH:25][cH:26][c:27]([CH2:48][NH:45][c:42]4[cH:41][cH:40][c:39]([C:38]([F:37])([F:46])[F:47])[cH:44][cH:43]4)[cH:28][n:29]3)[cH:35][cH:36]2)[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 99644-(Trifluoromethyl)anilineHCID 86616541HCID 86616541, compound

Product 1

HCID 68525449HCID 68525449, compound

Sources & evidence

ORD record
ord-c1158c7bcf4d4535a87dd6cac267730c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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