Acetonitrile → HCID 178526818, compound

HRID 1551999Notes

Reaction equation

HRID 1551999 reaction equation
[CH3:47][C:48]#[N:49].[Cl+3:41]([O-:42])([O-:43])([O-:44])[O-:45].[Li+:46].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1.[O:32]1[CH:33]([c:35]2[cH:36][n:37][cH:38][cH:39][cH:40]2)[CH2:34]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1)[CH2:34][CH:33]([OH:32])[c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28486Lithium ionHCID 123351PerchlorateHCID 133195613-(Oxiran-2-yl)pyridineHCID 16202211N4-(4-amino-cyclohexylmethyl)-5-nitro-N2-(2-trifluoromethoxy-benzyl)-pyrimidine-2,4-diamine

Product 1

HCID 178526818HCID 178526818, compound

Sources & evidence

ORD record
ord-c30c27f4d32f4cdea0eed2915bab909e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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