Sodium ion → 5,7-dihydro-6H-dibenz[c,e]azepine-6carbonitrile

HRID 2158751

Reaction equation

HRID 2158751 reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH:19]([Cl:20])([Cl:21])[Cl:22].[Na+:24].[OH-:23].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:15][cH:14][cH:13][cH:12]1)[CH2:8][N:7]([C:16](=[O:17])[NH2:18])[CH2:6]2>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:15][cH:14][cH:13][cH:12]1)[CH2:8][N:7]([C:16]#[N:18])[CH2:6]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 6212ChloroformHCID 8471TriethylamineHCID 200417145,7-dihydro-6H-dibenz[c,e]azepine-6-carboxamide

Product 1

HCID 198338865,7-dihydro-6H-dibenz[c,e]azepine-6carbonitrile

Sources & evidence

ORD record
ord-080404ef3d954924a3dfebd5e7dcb3b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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