Chloride → HCID 59368404, compound

HRID 1221652Notes

Reaction equation

HRID 1221652 reaction equation
[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1.[Cl-:31].[F:17][C:18]([c:19]1[n:20][cH:21][c:22]([CH:25]=[CH2:26])[cH:23][cH:24]1)([F:27])[F:28].[Na+:30].[OH-:29].[OH2:49]>>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[n:6]([CH2:26][CH2:25][c:22]3[cH:21][n:20][c:19]([C:18]([F:17])([F:27])[F:28])[cH:24][cH:23]3)[c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 16028TetrabutylammoniumHCID 574168485-Ethenyl-2-(trifluoromethyl)pyridineHCID 685600921,2,3,4,5,6-Hexahydro-3,9-dimethylazepino[4,5-b]indole

Product 1

HCID 59368404HCID 59368404, compound

Sources & evidence

ORD record
ord-c44319075cce43d6ac1ed573d9752d04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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