Acetonitrile → HCID 57593410, compound

HRID 691119Notes

Reaction equation

HRID 691119 reaction equation
[CH2:20]([CH3:21])[N:22]=[C:23]=[O:24].[CH3:25][C:26]#[N:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Br:19])[c:13]([NH:15][CH2:16][C:17]#[CH:18])[n:14]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Br:19])[c:13]([NH:15][CH2:16][C:17]#[CH:18])[n:14]2)[cH:6][cH:7]1)[C:23]([NH:22][CH2:20][CH3:21])=[O:24]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 8022Ethyl isocyanateHCID 57593369N2-(4-Amino-phenyl)-5-bromo-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Product 1

HCID 57593410HCID 57593410, compound

Sources & evidence

ORD record
ord-700820d110334ae79958f36d2df7b5a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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