Acetonitrile → HCID 67212942, compound

HRID 97085Notes

Reaction equation

HRID 97085 reaction equation
[CH3:19][N:20]1[CH2:21][CH2:22][CH2:23][C:24]1=[O:25].[CH3:47][C:48]#[N:49].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[Cl:26][c:27]1[n:28][c:29]([NH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:30][c:31]([NH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][c:27]2[n:28][c:29]([NH:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[n:30][c:31]([NH:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[n:32]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 13387N-methyl-2-pyrrolidoneHCID 160881,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-HCID 673264-FluorobenzylamineHCID 81531Diisopropylethylamine

Product 1

HCID 67212942HCID 67212942, compound

Sources & evidence

ORD record
ord-3a7e80b251fe450b9ef81369904ec645
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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