Bicarbonate Ion → HCID 21881980, compound

HRID 682406Notes

Reaction equation

HRID 682406 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH2:46]([Cl:47])[Cl:48].[CH2:5]([CH3:6])[CH:7]([CH2:8][CH3:9])[c:10]1[n:11][nH:12][cH:13][cH:14]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Na+:45].[OH:24][CH:25]1[C:26](=[O:40])[N:27]([c:30]2[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]2)[CH2:28][O:29]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH2:5]([CH3:6])[CH:7]([CH2:8][CH3:9])[c:10]1[n:11][n:12]([CH:25]2[C:26](=[O:40])[N:27]([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH2:28][O:29]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 11118371HCID 11118371, compoundHCID 178442218HCID 178442218, compound

Product 1

HCID 21881980HCID 21881980, compound

Sources & evidence

ORD record
ord-4703b0cd6e7147e7bdd1fcd82be385ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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