Bicarbonate Ion → HCID 178431520, compound

HRID 1214983Notes

Reaction equation

HRID 1214983 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[CH3:11][CH:12]1[CH2:13][O:14][CH2:15][CH2:16][N:17]1[c:18]1[n:19][c:20](-[c:36]2[cH:37][cH:38][c:39]([NH2:40])[cH:41][cH:42]2)[n:21][c:22]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[c:30]2[cH:31][cH:32][n:33][cH:34][cH:35]2)[cH:23]1.[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Na+:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:48]>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:40][c:39]1[cH:38][cH:37][c:36](-[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]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[n:21]2)[cH:42][cH:41]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431519HCID 178431519, compound

Product 1

HCID 178431520HCID 178431520, compound

Sources & evidence

ORD record
ord-7a3ca6658f1747ccb053fc757d45595c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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