Chloride → HCID 58305989, compound

HRID 1149893Notes

Reaction equation

[C:28](=[O:29])([OH:30])[O-:31].[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:1]1([N:4]2[CH2:5][CH2:6][CH:7]([c:10]3[n:11][n:12]4[c:13](=[O:27])[nH:14][c:15](-[c:19]5[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]5)[cH:16][c:17]4[n:18]3)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1.[Cl-:38].[Na+:32].[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37]>>[CH:1]1([N:4]2[CH2:5][CH2:6][CH:7]([c:10]3[n:11][n:12]4[c:13]([Cl:35])[n:14][c:15](-[c:19]5[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]5)[cH:16][c:17]4[n:18]3)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1

Participants

Reactant 6

HCID 312Chloride

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 17208Benzyltriethylammonium

HCID 24813Phosphorus oxychloride

HCID 1361041872-(1-Cyclopropylpiperidin-4-yl)-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one

Product 1

HCID 58305989HCID 58305989, compound

Sources & evidence

ORD record: ord-331346a4862f461ba0cd4932b179814e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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