Hydrogen Bromide → 2-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-(4-hydroxy-phenyl)-propionic Acid Tert-butyl Ester

HRID 2148807

Reaction equation

HRID 2148807 reaction equation
[Br:2][CH2:3][c:4]1[n:5][c:6]2[c:7]([NH2:15])[n:8][c:9]([NH2:14])[n:10][c:11]2[n:12][cH:13]1.[BrH:1].[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([CH:22]([CH2:23][c:24]1[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]1)[NH2:31])=[O:32].[C:33](=[O:34])([OH:35])[O-:36]>>[CH2:3]([c:4]1[n:5][c:6]2[c:7]([NH2:15])[n:8][c:9]([NH2:14])[n:10][c:11]2[n:12][cH:13]1)[NH:31][CH:22]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:32])[CH2:23][c:24]1[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]1

Participants

5

Reactant 4

HCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 86078Tert-butyl tyrosinateHCID 4293426-Bromomethyl-2,4-pteridinediamine

Product 1

HCID 588472942-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-(4-hydroxy-phenyl)-propionic Acid Tert-butyl Ester

Sources & evidence

ORD record
ord-bc9eda48e6fd4ff3ac61f2fe4731f369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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