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

HRID 298243

Reaction equation

HRID 298243 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[ClH:38].[NH2:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][CH:23]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1.[NH2:1][c:2]1[n:3][c:4]([NH2:14])[c:5]2[c:6]([n:7]1)[n:8][cH:9][c:10]([CH:12]=[O:13])[cH:11]2.[Na+:40].[OH-:39]>>[NH2:1][c:2]1[n:3][c:4]([NH2:14])[c:5]2[c:6]([n:7]1)[n:8][cH:9][c:10]([CH2:12][NH:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][CH:23]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1)[cH:11]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 256289Diethyl 2-[(4-aminobenzoyl)amino]pentanedioateHCID 10726310Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-

Product 1

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

Sources & evidence

ORD record
ord-0b8ba32894db4150bbfb618dddd6155c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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