Ethylene Glycol → picotrin

HRID 669286Notes

Reaction equation

HRID 669286 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:6][cH:7]1.[C-:27]#[N:28].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[K+:31].[K:29].[OH-:30].[OH2:36].[OH:32][CH2:33][CH2:34][OH:35]>>[c:2]1([C:34](=[O:30])[OH:35])[n:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 174Ethylene GlycolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 5975CyanideHCID 6228DimethylformamideHCID 5462222PotassiumHCID 21333296HCID 21333296, compound

Product 1

HCID 47264picotrin

Sources & evidence

ORD record
ord-55c097fb38a94d7f8f5593ad316b4c20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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