Bicarbonate Ion → 3-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

HRID 111102

Reaction equation

HRID 111102 reaction equation
[C:20](=[O:21])([OH:22])[O-:23].[Na+:24].[OH2:25].[P:15]([Cl:16])([Cl:17])([Cl:18])=[O:19].[n:1]1[cH:2][nH:3][c:4](=[O:14])[c:5]2[c:6]1[s:7][c:8]1[c:9]2[CH2:10][CH2:11][CH2:12][CH2:13]1>>[n:1]1[cH:2][n:3][c:4]([Cl:17])[c:5]2[c:6]1[s:7][c:8]1[c:9]2[CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 24813Phosphorus oxychlorideHCID 986145,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one

Product 1

HCID 6995153-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

Sources & evidence

ORD record
ord-4762b1f7c852450f96ac5ea5e6fed983
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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