Acetonitrile → HCID 53259790, compound

HRID 158061Notes

Reaction equation

HRID 158061 reaction equation
[CH3:45][C:46]#[N:47].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:34][c:35]1[n:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][cH:44]1.[n:1]1[n:2](-[c:6]2[c:7]([CH2:8][N:9]3[C:10](=[O:20])[C:11]4([CH2:12][CH2:13][CH2:14]3)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]4)[cH:21][cH:22][cH:23][cH:24]2)[n:3][cH:4][cH:5]1>>[n:1]1[n:2](-[c:6]2[c:7]([CH2:8][N:9]3[C:10](=[O:20])[C:11]4([CH2:12][CH2:13][CH2:14]3)[CH2:15][CH2:16][N:17]([c:35]3[n:36][c:37]5[cH:38][cH:39][cH:40][cH:41][c:42]5[n:43][cH:44]3)[CH2:18][CH2:19]4)[cH:21][cH:22][cH:23][cH:24]2)[n:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 2389382-ChloroquinoxalineHCID 672526432-(2-(2H-1,2,3-triazol-2-yl)benzyl)-2,9-diazaspiro[5.5]undecan-1-one

Product 1

HCID 53259790HCID 53259790, compound

Sources & evidence

ORD record
ord-dd7cc80b7ccc47518e2bb9f2fa847881
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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