Citric Acid → HCID 10145604, compound

HRID 317983Notes

Reaction equation

HRID 317983 reaction equation
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][c:16](-[c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[n:17][c:18]([O:29][CH2:30][C:31]#[C:32][CH2:33][OH:34])[c:19]2[O:20][c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[n:8][cH:9]1.[Cl:41][c:42]1[n:43][cH:44][cH:45][cH:46][n:47]1.[H-:1].[Na+:2].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60]>>[CH3:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][c:16](-[c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[n:17][c:18]([O:29][CH2:30][C:31]#[C:32][CH2:33][O:34][c:42]3[n:43][cH:44][cH:45][cH:46][n:47]3)[c:19]2[O:20][c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[n:8][cH:9]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 744042-ChloropyrimidineHCID 166653HydrideHCID 10302118HCID 10302118, compound

Product 1

HCID 10145604HCID 10145604, compound

Sources & evidence

ORD record
ord-21349afb0cd544bf8cdc971b62803d58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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