Bicarbonate Ion → HCID 68864632, compound

HRID 698766Notes

Reaction equation

HRID 698766 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH3:11][CH:12]1[CH2:13][O:14][CH2:15][CH2:16][N:17]1[c:18]1[n:19][c:20](-[c:38]2[cH:39][cH:40][c:41]([NH2:42])[cH:43][cH:44]2)[n:21][c:22]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]2[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]2)[cH:23]1.[CH3:50][CH2:51][CH2:52][CH:53]([CH3:54])[CH3:55].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][O:70][CH2:71][CH3:72].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Na+:49].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:42][c:41]1[cH:40][cH:39][c:38](-[c:20]2[n:19][c:18]([N:17]3[CH:12]([CH3:11])[CH2:13][O:14][CH2:15][CH2:16]3)[cH:23][c:22]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[n:21]2)[cH:44][cH:43]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431554HCID 178431554, compound

Product 1

HCID 68864632HCID 68864632, compound

Sources & evidence

ORD record
ord-b6fdeaf88449487b80c613e9a336d081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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