Acetonitrile → HCID 178470609, compound

HRID 179642Notes

Reaction equation

HRID 179642 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[F:17][C:18]([F:19])([F:20])[C:21]([OH:22])=[O:23].[NH2:24][CH2:25][CH2:26][CH2:27][O:28][c:29]1[cH:30][c:31]2[c:35]([cH:36][cH:37]1)[CH:34]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:33][CH2:32]2.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[n:11][c:12]([Cl:16])[n:13][cH:14][cH:15]1)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[n:11][c:12]([NH:24][CH2:25][CH2:26][CH2:27][O:28][c:29]3[cH:30][c:31]4[c:35]([cH:36][cH:37]3)[CH:34]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:33][CH2:32]4)[n:13][cH:14][cH:15]1)[cH:9]2

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 24901900HCID 24901900, compoundHCID 178470623HCID 178470623, compound

Product 1

HCID 178470609HCID 178470609, compound

Sources & evidence

ORD record
ord-5207eaf68c6c4a1080c9a20d7dd908ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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