Acetic Acid → 5-(6,7-Dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)pyridin-2-methylamine

HRID 117325Notes

Reaction equation

HRID 117325 reaction equation
[CH3:23][S:24]([CH3:25])=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:14][c:13](-[c:15]3[cH:16][cH:17][c:18]([C:21]#[N:22])[n:19][cH:20]3)[s:12]1)[CH2:8][CH2:7][O:6]2>>[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:14][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][NH2:22])[n:19][cH:20]3)[s:12]1)[CH2:8][CH2:7][O:6]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 8028TetrahydrofuranHCID 668690225-(6,7-Dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)pyridin-2-nitrile

Product 1

HCID 579002045-(6,7-Dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)pyridin-2-methylamine

Sources & evidence

ORD record
ord-ca4d4b2fb7a54a95bca5587b6b05bc15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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