Bicarbonate Ion → HCID 178431564, compound

HRID 318495Notes

Reaction equation

HRID 318495 reaction equation
[C:42](=[O:43])([O-:44])[OH:45].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:11][c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH2:21][c:22]2[n:23][c:24](-[c:35]3[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]3)[n:25][c:26]([N:28]3[CH:29]([CH3:34])[CH2:30][O:31][CH2:32][CH2:33]3)[cH:27]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+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:39][c:38]1[cH:37][cH:36][c:35](-[c:24]2[n:23][c:22]([CH2:21][S:18]([c:15]3[cH:14][cH:13][c:12]([Cl:11])[cH:17][cH:16]3)(=[O:19])=[O:20])[cH:27][c:26]([N:28]3[CH:29]([CH3:34])[CH2:30][O:31][CH2:32][CH2:33]3)[n:25]2)[cH:41][cH:40]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431563HCID 178431563, compound

Product 1

HCID 178431564HCID 178431564, compound

Sources & evidence

ORD record
ord-d378adccde13484ab89035dcee27b2cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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