Dimethyl Sulfoxide → 2-(8-(3-Aminoazepan-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile

HRID 167904

Reaction equation

HRID 167904 reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([CH3:22])[c:6](=[O:21])[nH:7][c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18][cH:19]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][S:39]([CH3:40])=[O:41].[NH:23]1[CH2:24][CH:25]([NH2:30])[CH2:26][CH2:27][CH2:28][CH2:29]1>>[c:2]1([N:23]2[CH2:24][CH:25]([NH2:30])[CH2:26][CH2:27][CH2:28][CH2:29]2)[n:3][c:4]2[n:5]([CH3:22])[c:6](=[O:21])[nH:7][c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18][cH:19]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 2756445Azepan-3-amineHCID 225085992-(8-Bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile

Product 1

HCID 225086232-(8-(3-Aminoazepan-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile

Sources & evidence

ORD record
ord-abcf5733608c4f4caf607373e19e5602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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