2-Butenedioic acid → HCID 21839358, compound

HRID 1136840Notes

Reaction equation

HRID 1136840 reaction equation
[CH3:1][n:2]1[c:3](=[O:21])[n:4]([CH2:15][CH2:16][CH2:17][C:18]([CH3:19])=[O:20])[c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12.[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([CH2:29][C:30]#[CH:31])[CH2:27][CH2:28]1.[OH:32][C:33]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])=[O:39]>>[CH3:1][n:2]1[c:3](=[O:21])[n:4]([CH2:15][CH2:16][CH2:17][C:18]([CH3:19])([OH:20])[C:31]#[C:30][CH2:29][N:26]2[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]2)[c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12

Participants

4

Reactant 3

HCID 7232-Butenedioic acidHCID 30591091H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(4-oxopentyl)-7-propyl-HCID 135140911-Methyl-4-(prop-2-yn-1-yl)piperazine

Product 1

HCID 21839358HCID 21839358, compound

Sources & evidence

ORD record
ord-2042329b8e214190815ac74f84c0ffa7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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