Bicarbonate Ion → HCID 178431511, compound

HRID 1236560Notes

Reaction equation

HRID 1236560 reaction equation
[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl: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.[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Na+:44].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH:45][C:46](=[O:47])[O-:48]>>[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]([Cl: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 8857Ethyl AcetateHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431510HCID 178431510, compound

Product 1

HCID 178431511HCID 178431511, compound

Sources & evidence

ORD record
ord-241353332d6644edbc22f68e0db3cece
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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