Bicarbonate Ion → HCID 178431515, compound

HRID 1223974Notes

Reaction equation

HRID 1223974 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[F:11][c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[C:21]([CH3:22])([CH3:23])[c:24]2[n:25][c:26](-[c:37]3[cH:38][cH:39][c:40]([NH2:41])[cH:42][cH:43]3)[n:27][c:28]([N:30]3[CH:31]([CH3:36])[CH2:32][O:33][CH2:34][CH2:35]3)[cH:29]2)[cH:16][cH:17]1.[Na+:48].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:41][c:40]1[cH:39][cH:38][c:37](-[c:26]2[n:25][c:24]([C:21]([S:18]([c:15]3[cH:14][cH:13][c:12]([F:11])[cH:17][cH:16]3)(=[O:19])=[O:20])([CH3:22])[CH3:23])[cH:29][c:28]([N:30]3[CH:31]([CH3:36])[CH2:32][O:33][CH2:34][CH2:35]3)[n:27]2)[cH:43][cH:42]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431514HCID 178431514, compound

Product 1

HCID 178431515HCID 178431515, compound

Sources & evidence

ORD record
ord-1a81d6c814474f1fb562028935f5e4c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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