Chloride → HCID 59717362, compound

HRID 1120101Notes

Reaction equation

HRID 1120101 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH:1]1([n:4]2[c:5](=[O:37])[n:6](-[c:28]3[cH:29][c:30]([N+:34]([O-:35])=[O:36])[cH:31][cH:32][cH:33]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([O:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:12][c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1.[Cl-:40].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:38].[OH2:39]>>[CH:1]1([n:4]2[c:5](=[O:37])[n:6](-[c:28]3[cH:29][c:30]([NH2:34])[cH:31][cH:32][cH:33]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([O:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:12][c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 8028TetrahydrofuranHCID 59717031Toluene-4-sulfonic acid 3-cyclopropyl-8-methyl-1-(3-nitrophenyl)-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidin-5-yl ester

Product 1

HCID 59717362HCID 59717362, compound

Sources & evidence

ORD record
ord-7237605f0fd3445592fb82cb21c09655
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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