Citric Acid → HCID 67406414, compound

HRID 687981Notes

Reaction equation

HRID 687981 reaction equation
[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[K+:28].[K+:29].[K+:30].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[OH2:51].[OH:31][C:32]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH2:38][C:39](=[O:40])[OH:41])[OH:42])=[O:43].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[SH:9][c:10]1[cH:11][c:12]2[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[OH:22])[c:17]2[cH:18][cH:19]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([S:9][c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[OH:22])[c:17]3[cH:18][cH:19]2)[cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 13387N-methyl-2-pyrrolidoneHCID 2380124-Amino-6-chloropyrimidineHCID 57455164HCID 57455164, compound

Product 1

HCID 67406414HCID 67406414, compound

Sources & evidence

ORD record
ord-84c1a91747cf4a269ac67f33f268479b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…