Bicarbonate Ion → HCID 178431553, compound

HRID 681448Notes

Reaction equation

HRID 681448 reaction equation
[C:40](=[O:41])([O-:42])[OH:43].[CH3:45][CH2:46][CH2:47][CH:48]([CH3:49])[CH3:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][O:65][CH2:66][CH3:67].[CH:11]1([S:16](=[O:17])(=[O:18])[CH2:19][c:20]2[n:21][c:22](-[c:33]3[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]3)[n:23][c:24]([N:26]3[CH:27]([CH3:32])[CH2:28][O:29][CH2:30][CH2:31]3)[cH:25]2)[CH2:12][CH2:13][CH2:14][CH2:15]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:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:37][c:36]1[cH:35][cH:34][c:33](-[c:22]2[n:21][c:20]([CH2:19][S:16]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)(=[O:17])=[O:18])[cH:25][c:24]([N:26]3[CH:27]([CH3:32])[CH2:28][O:29][CH2:30][CH2:31]3)[n:23]2)[cH:39][cH:38]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 68155698HCID 68155698, compound

Product 1

HCID 178431553HCID 178431553, compound

Sources & evidence

ORD record
ord-7d25721db193404abad31461f01273e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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