Bicarbonate Ion → HCID 178431566, compound

HRID 684620Notes

Reaction equation

HRID 684620 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH3:11][CH:12]1[CH2:13][O:14][CH2:15][CH2:16][N:17]1[c:18]1[n:19][c:20](-[c:34]2[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]2)[n:21][c:22]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]2[n:29][cH:30][cH:31][cH:32][cH:33]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+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:38][c:37]1[cH:36][cH:35][c:34](-[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[n:29][cH:30][cH:31][cH:32][cH:33]3)[n:21]2)[cH:40][cH:39]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431565HCID 178431565, compound

Product 1

HCID 178431566HCID 178431566, compound

Sources & evidence

ORD record
ord-fbfa1fe4f2df498caaf89119d3d93409
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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