Acetonitrile → HCID 57885522, compound

HRID 2348987Notes

Reaction equation

HRID 2348987 reaction equation
[CH3:45][C:46]#[N:47].[Cl:32][C:33]([Cl:34])([Cl:35])[S:36]([O:37][CH2:38][C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44].[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>>[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)[CH2:38][C:39]([F:40])([F:41])[F:42]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 900272,2,2-Trifluoroethyl trichloromethanesulphonateHCID 16202211N4-(4-amino-cyclohexylmethyl)-5-nitro-N2-(2-trifluoromethoxy-benzyl)-pyrimidine-2,4-diamine

Product 1

HCID 57885522HCID 57885522, compound

Sources & evidence

ORD record
ord-7bcedea82f1f4f209b8c0da8b5b69c83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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