Bicarbonate Ion → HCID 87394487, compound

HRID 1224716Notes

Reaction equation

HRID 1224716 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:27]2([OH:34])[CH:28]([OH:33])[CH2:29][NH:30][CH2:31][CH2:32]2)[cH:6][cH:7][c:8]1[NH:9][c:10]1[n:11][n:12]2[c:13]([cH:14][n:15]1)[cH:16][cH:17][c:18]2-[c:19]1[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]1.[CH3:44][C:45]#[N:46].[F:35][CH2:36][CH2:37][I:38].[Na+:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:27]2([OH:34])[CH:28]([OH:33])[CH2:29][N:30]([CH2:37][CH2:36][F:35])[CH2:31][CH2:32]2)[cH:6][cH:7][c:8]1[NH:9][c:10]1[n:11][n:12]2[c:13]([cH:14][n:15]1)[cH:16][cH:17][c:18]2-[c:19]1[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 69804Ethane, 1-fluoro-2-iodo-HCID 68658072HCID 68658072, compound

Product 1

HCID 87394487HCID 87394487, compound

Sources & evidence

ORD record
ord-a69c23bb425c47298cbd3ee2aee9d24f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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