Ethylene Glycol → 3-(4-cyanobenzoyl)indolizine

HRID 194976Notes

Reaction equation

HRID 194976 reaction equation
[C:1](=[O:2])([CH3:3])[c:4]1[cH:5][c:6]([C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)=[O:22])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[C:38](=[O:39])([OH:40])[O-:41].[Na+:42].[OH:23][CH2:24][CH2:25][OH:26].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[cH:4]1[cH:5][c:6]([C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)=[O:22])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

7

Reactant 6

HCID 174Ethylene GlycolHCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 22563203HCID 22563203, compound

Product 1

HCID 102639353-(4-cyanobenzoyl)indolizine

Sources & evidence

ORD record
ord-de2752fe80c34aa78b8422e6fca40b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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