Acetonitrile → HCID 178481128, compound

HRID 1150837Notes

Reaction equation

HRID 1150837 reaction equation
[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][N:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]1[cH:8][c:9]([NH2:12])[cH:10][cH:11]2.[CH3:29][C:30]#[N:31].[NH:20]1[C:21]([S:25]([OH:26])(=[O:27])=[O:28])=[N:22][CH2:23][CH2:24]1>>[CH3:1][N:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]1[cH:8][c:9]([N:12]=[C:21]1[NH:20][CH2:24][CH2:23][NH:22]1)[cH:10][cH:11]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 2745614,5-dihydro-1H-imidazole-2-sulfonic acidHCID 225984224-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

Product 1

HCID 178481128HCID 178481128, compound

Sources & evidence

ORD record
ord-daf29eba7cca4106a267bf710c48b086
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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