Chloride → 4-(3-chloropropyl)-2H-1,4-benzoxazin-3(4H)-one

HRID 312325

Reaction equation

HRID 312325 reaction equation
[Br:15][CH2:16][CH2:17][CH2:18][Cl:19].[CH2:21]([N+:22]([CH2:23][CH3:24])([CH2:25][CH3:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl-:20].[Na+:13].[O:1]1[CH2:2][C:3](=[O:11])[NH:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[OH-:12].[OH2:14]>>[O:1]1[CH2:2][C:3](=[O:11])[N:4]([CH2:16][CH2:17][CH2:18][Cl:19])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 80061-Bromo-3-chloropropaneHCID 17208BenzyltriethylammoniumHCID 727572H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 233451504-(3-chloropropyl)-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record
ord-e672f78481624428ac9c0951e135e0d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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