Sodium ion → (4-{5-[(2-{[6-Amino-5-(trifluoroacetyl)pyridin-2-yl]amino}ethyl)amino]-7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}piperidin-1-yl)acetic acid

HRID 184028Notes

Reaction equation

HRID 184028 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[N:7]1[CH2:8][CH2:9][CH:10]([c:13]2[n:14][n:15]3[c:16]([NH:30][CH2:31][CH2:32][NH:33][c:34]4[n:35][c:36]([NH2:46])[c:37]([C:40]([C:41]([F:42])([F:43])[F:44])=[O:45])[cH:38][cH:39]4)[n:17][c:18](-[c:22]4[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]4)[cH:19][c:20]3[n:21]2)[CH2:11][CH2:12]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:49].[OH-:48].[OH2:47]>>[CH2:3]([C:4](=[O:5])[OH:6])[N:7]1[CH2:8][CH2:9][CH:10]([c:13]2[n:14][n:15]3[c:16]([NH:30][CH2:31][CH2:32][NH:33][c:34]4[n:35][c:36]([NH2:46])[c:37]([C:40]([C:41]([F:42])([F:43])[F:44])=[O:45])[cH:38][cH:39]4)[n:17][c:18](-[c:22]4[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]4)[cH:19][c:20]3[n:21]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 178454764HCID 178454764, compound

Product 1

HCID 67228276(4-{5-[(2-{[6-Amino-5-(trifluoroacetyl)pyridin-2-yl]amino}ethyl)amino]-7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}piperidin-1-yl)acetic acid

Sources & evidence

ORD record
ord-ba639c68bc174caf80e7bdd8051bf9e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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