Acetone → HCID 15702830, compound

HRID 699112Notes

Reaction equation

HRID 699112 reaction equation
[C:1](=[O:2])([OH:3])[CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:21][C:22](=[O:23])[OH:24])[CH2:9][CH2:10][N:11]([CH2:17][C:18](=[O:19])[OH:20])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][I:32].[CH3:34][C:35]([CH3:36])=[O:37].[CH3:38][OH:39].[CH3:40][OH:41].[ClH:33].[K+:29].[K+:30]>>[C:1](=[O:2])([OH:3])[CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:21][C:22](=[O:23])[OH:24])[CH2:9][CH2:10][N:11]([CH2:17][C:18](=[O:19])[OH:20])[CH2:12][CH2:13][N:14]([CH3:25])[CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887Methanol2×HCID 6328Methyl iodideHCID 19660Carbonate IonHCID 1078301,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

Product 1

HCID 15702830HCID 15702830, compound

Sources & evidence

ORD record
ord-0afdebe841684a4eb86a2e0e2e56b214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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