Dimethyl Sulfoxide → 7-Bromo-4-(3-morpholin-4-yl-propyl)-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one

Reaction equation

[CH2:1]([O:3][C:4](=[O:2])[CH2:5][N:6]([CH2:7][CH2:8][CH2:9][N:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)[CH2:16][c:17]1[c:18]([NH2:24])[n:19][cH:20][c:21]([Br:23])[cH:22]1)[CH3:25].[CH3:28][S:29]([CH3:30])=[O:31].[H-:27].[Na+:26].[OH2:32]>>[O:3]=[C:4]1[CH2:5][N:6]([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[CH2:16][c:17]2[c:18]([n:19][cH:20][c:21]([Br:23])[cH:22]2)[NH:24]1

Participants

Reactant 5

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 962Water

HCID 166653Hydride

HCID 59456916[(2-Amino-5-bromo-pyridin-3-ylmethyl)-(3-morpholin-4-yl-propyl)amino]acetic acid ethyl ester

Product 1

HCID 594569707-Bromo-4-(3-morpholin-4-yl-propyl)-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-47bea94dfd744796a43fe8f89eda19a2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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