Acetonitrile → HCID 59837389, compound

HRID 2347498Notes

Reaction equation

HRID 2347498 reaction equation
[CH3:24][n:25]1[c:26]([S:34]([OH:35])(=[O:36])=[O:37])[n:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2.[CH3:47][C:48]#[N:49].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][NH2:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][NH:23][c:26]4[n:25]([CH3:24])[c:29]5[c:28]([n:27]4)[cH:33][cH:32][cH:31][cH:30]5)[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 27247881-methyl-1H-benzimidazole-2-sulfonic acidHCID 11645410(4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine

Product 1

HCID 59837389HCID 59837389, compound

Sources & evidence

ORD record
ord-66efc03e8c1445d7aa84a5435e2ffb8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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