Sodium ion → 10-Chloro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

HRID 181064

Reaction equation

HRID 181064 reaction equation
[Cl:17][CH2:18][c:19]1[n:20][c:21]([CH3:24])[s:22][cH:23]1.[Cl:3][c:4]1[n:5][cH:6][c:7]2[c:13]([n:14]1)[NH:12][CH2:11][CH2:10][C:9](=[O:15])[N:8]2[CH3:16].[H-:1].[Na+:2]>>[Cl:3][c:4]1[n:5][cH:6][c:7]2[c:13]([n:14]1)[N:12]([CH2:18][c:19]1[n:20][c:21]([CH3:24])[s:22][cH:23]1)[CH2:11][CH2:10][C:9](=[O:15])[N:8]2[CH3:16]

Participants

5

Reactant 4

HCID 923Sodium ionHCID 166653HydrideHCID 7363414-(Chloromethyl)-2-methyl-1,3-thiazoleHCID 866175762-Chloro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 8661757710-Chloro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Sources & evidence

ORD record
ord-0fdf773876544ef5bc4c0a2a5f630007
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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