Chloride → HCID 53655731, compound

HRID 665411Notes

Reaction equation

HRID 665411 reaction equation
[Br:22][CH2:23][CH2:24][CH2:25][CH2:26][Cl:27].[CH2:29]([N+:30]([CH2:31][CH3:32])([CH2:33][CH3:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH3:42].[CH3:1][C:2](=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[n:10]1[c:11](=[O:19])[nH:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2.[Cl-:28].[Na+:21].[OH-:20].[OH2:43]>>[CH3:1][C:2](=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[n:10]1[c:11](=[O:19])[n:12]([CH2:23][CH2:24][CH2:25][CH2:26][Cl:27])[c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 17208BenzyltriethylammoniumHCID 813641-Bromo-4-chlorobutaneHCID 54397327HCID 54397327, compound

Product 1

HCID 53655731HCID 53655731, compound

Sources & evidence

ORD record
ord-223c1fd3d1d646449e6aeec71719ec94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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