Bicarbonate Ion → HCID 14538177, compound

HRID 1567992Notes

Reaction equation

HRID 1567992 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:46][C:47]#[N:48].[Na+:45].[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH2:15][S:16][CH2:17][C:18]([C:19]([F:20])([F:21])[F:22])([OH:23])[c:24]2[cH:25][cH:26][c:27]([O:30][CH2:31][CH3:32])[cH:28][cH:29]2)[cH:33][cH:34][cH:35]1.[S:1]([Cl:2])([Cl:3])=[O:4].[nH:36]1[cH:37][cH:38][n:39][cH:40]1>>[Cl:3][C:18]([CH2:17][S:16][CH2:15][c:14]1[cH:13][c:12]([O:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:35][cH:34][cH:33]1)([C:19]([F:20])([F:21])[F:22])[c:24]1[cH:25][cH:26][c:27]([O:30][CH2:31][CH3:32])[cH:28][cH:29]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 795ImidazoleHCID 923Sodium ionHCID 6342AcetonitrileHCID 24386Thionyl ChlorideHCID 14538205HCID 14538205, compound

Product 1

HCID 14538177HCID 14538177, compound

Sources & evidence

ORD record
ord-cac0dcb1d84a402fa3ff67fbdb3959c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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