Bicarbonate Ion → [1-(5,6-dichlorobenzimidazol-1-yl)-3,3-dimethylbutan-2-yl] N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]carbamate

HRID 1127363Notes

Reaction equation

HRID 1127363 reaction equation
[C:78](=[O:79])([OH:80])[O-:81].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH:83]([Cl:84])([Cl:85])[Cl:86].[Na+:76].[Na+:77].[Na+:82].[OH:1][CH:2]([CH2:3][NH:4][C:5]([O:6][CH:7]([C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][n:13]1[cH:14][n:15][c:16]2[c:17]1[cH:18][c:19]([Cl:23])[c:20]([Cl:22])[cH:21]2)=[O:24])[CH2:25][NH:26][S:27](=[O:28])(=[O:29])[c:30]1[n:31][cH:32][cH:33][cH:34][cH:35]1.[OH:36][CH:37]([CH2:38][NH:39][S:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][n:46]1)(=[O:47])=[O:48])[CH2:49][NH:50][C:51](=[O:52])[O:53][CH:54]([CH2:55][n:56]1[c:57]2[cH:58][c:59]([Cl:60])[c:61]([Cl:62])[cH:63][c:64]2[n:65][cH:66]1)[C:67]([CH3:68])([CH3:69])[CH3:70].[S:71]([O-:72])([O-:73])(=[O:74])=[S:75]>>[O:1]=[C:2]([CH2:3][NH:4][C:5]([O:6][CH:7]([C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][n:13]1[cH:14][n:15][c:16]2[c:17]1[cH:18][c:19]([Cl:23])[c:20]([Cl:22])[cH:21]2)=[O:24])[CH2:25][NH:26][S:27](=[O:28])(=[O:29])[c:30]1[n:31][cH:32][cH:33][cH:34][cH:35]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6212ChloroformHCID 8857Ethyl AcetateHCID 178444704HCID 178444704, compound2×

Product 1

HCID 72480232[1-(5,6-dichlorobenzimidazol-1-yl)-3,3-dimethylbutan-2-yl] N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]carbamate

Sources & evidence

ORD record
ord-44c0662482df491196581ee20527d53f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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