Acetonitrile → HCID 17990076, compound

HRID 689212Notes

Reaction equation

HRID 689212 reaction equation
[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH3:52][C:53]#[N:54].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:7][c:8]1[cH:9][c:10]([NH:22][c:23]2[c:24]3[c:25]([n:26][cH:27][n:28]2)[s:29][c:30]2[c:31]3[CH2:32][CH2:33][CH:34]([CH2:36][CH2:37][O:38][S:39]([CH3:40])(=[O:41])=[O:42])[CH2:35]2)[cH:11][cH:12][c:13]1[O:14][CH2:15][c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:37][CH2:36][CH:34]1[CH2:33][CH2:32][c:31]2[c:24]3[c:23]([NH:22][c:10]4[cH:9][c:8]([Cl:7])[c:13]([O:14][CH2:15][c:16]5[n:17][cH:18][cH:19][cH:20][cH:21]5)[cH:12][cH:11]4)[n:28][cH:27][n:26][c:25]3[s:29][c:30]2[CH2:35]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8083MorpholineHCID 81531DiisopropylethylamineHCID 17990097HCID 17990097, compound

Product 1

HCID 17990076HCID 17990076, compound

Sources & evidence

ORD record
ord-bfc826dddfde4554be79b654332039b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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