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

HRID 1132602Notes

Reaction equation

HRID 1132602 reaction equation
[CH3:1][O:2][C:3]([CH2:4][N:5]([CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[CH2:14][c:15]1[c:16]([NH2:22])[n:17][cH:18][c:19]([Br:21])[cH:20]1)=[O:23].[CH3:26][S:27]([CH3:28])=[O:29].[H-:25].[Na+:24].[OH2:30]>>[O:2]=[C:3]1[CH2:4][N:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[CH2:14][c:15]2[c:16]([n:17][cH:18][c:19]([Br:21])[cH:20]2)[NH:22]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 962WaterHCID 166653HydrideHCID 59456951[(2-Amino-5-bromo-pyridin-3-ylmethyl)-(2-morpholin-4-yl-ethyl)amino]acetic acid methyl ester

Product 1

HCID 594569787-Bromo-4-(2-morpholin-4-yl-ethyl)-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-047eff484c3d4438ab17b32e70f08a90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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