Bicarbonate Ion → Chloromethyl nicotinate

HRID 199895Notes

Reaction equation

HRID 199895 reaction equation
[C:10](=[O:11])([OH:12])[O-:13].[CH2:20]([N+:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH3:36].[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[Cl:54][CH2:55][S:56]([Cl:57])(=[O:58])=[O:59].[Cl:60][CH2:61][Cl:62].[Na+:14].[OH2:63].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1.[S:15]([O-:16])([O-:17])(=[O:18])=[O:19]>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[CH2:55][Cl:54]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 938Nicotinic AcidHCID 962WaterHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 16028Tetrabutylammonium2×HCID 77054(Chloromethyl)sulfonyl chloride

Product 1

HCID 14608830Chloromethyl nicotinate

Sources & evidence

ORD record
ord-a7750998081344e7a63432ac5a6c5a66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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