Hydrogen Bromide → Diethyl 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate

HRID 2130561

Reaction equation

HRID 2130561 reaction equation
[Br:20].[NH2:21][c:22]1[n:23][c:24]([NH2:34])[c:25]2[c:26]([n:27]1)[n:28][cH:29][c:30]([CH2:32][OH:33])[cH:31]2.[NH2:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][CH:43]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:56][cH:57]1.[OH2:58].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:21][c:22]1[n:23][c:24]([NH2:34])[c:25]2[c:26]([n:27]1)[n:28][cH:29][c:30]([CH2:32][NH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][CH:43]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:56][cH:57]1)[cH:31]2

Participants

6

Reactant 5

HCID 260Hydrogen BromideHCID 962WaterHCID 11776TriphenylphosphineHCID 256289Diethyl 2-[(4-aminobenzoyl)amino]pentanedioateHCID 4874162,4-Diamino-6-(hydroxymethyl)pyrido[2,3-d]pyrimidine

Product 1

HCID 335794Diethyl 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate

Sources & evidence

ORD record
ord-254b38c59ca6458fb1bfcc3f1015d4e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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