Lithium ion → 9-(1H-Imidazol-1-yl)-4-[2-[4-(1H-imidazol-1-yl)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

HRID 2344861Notes

Reaction equation

HRID 2344861 reaction equation
[Al+3:34].[H-:33].[H-:36].[H-:37].[H-:38].[Li+:35].[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:31][cH:32]2)[O:10][CH2:11][CH2:12][N:13]([C:17]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]4[cH:26][n:27][cH:28][cH:29]4)[cH:23][cH:24]2)=[O:30])[CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:31][cH:32]2)[O:10][CH2:11][CH2:12][N:13]([CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]4[cH:26][n:27][cH:28][cH:29]4)[cH:23][cH:24]2)[CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 148563669-(1H-Imidazol-1-yl)-4-[2-[4-(1H-imidazol-1-yl)phenyl]acetyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Product 1

HCID 148563739-(1H-Imidazol-1-yl)-4-[2-[4-(1H-imidazol-1-yl)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Sources & evidence

ORD record
ord-959a2206d6b84b7bbc7269a564931c1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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