Acetonitrile → HCID 67206468, compound

HRID 1542102Notes

Reaction equation

HRID 1542102 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]2[CH2:28][NH:29][CH:30]([CH2:31]1)[CH2:32]2.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]1)[N:29]1[CH2:28][CH:27]2[N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH:30]1[CH2:32]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 672064032-(4-Chloromethyl-benzyl)-benzothiazole

Product 1

HCID 67206468HCID 67206468, compound

Sources & evidence

ORD record
ord-e76983101f854447b93116d723849e93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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