Acetonitrile → HCID 11351635, compound

HRID 1230662Notes

Reaction equation

HRID 1230662 reaction equation
[CH3:36][C:37]#[N:38].[Cl:20][c:21]1[cH:22][n:23][cH:24][c:25]([Cl:35])[c:26]1[C:27](=[O:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([S:15]([CH3:16])(=[O:17])=[O:18])[n:12][c:13]3[NH2:14])[n:19]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([N:32]4[CH2:31][CH2:30][N:29]([C:27]([c:26]5[c:21]([Cl:20])[cH:22][n:23][cH:24][c:25]5[Cl:35])=[O:28])[CH2:34][CH2:33]4)[n:12][c:13]3[NH2:14])[n:19]2)[cH:3][cH:4][cH:5]1

Participants

4

Sources & evidence

ORD record
ord-8f7786eaef9a4472bd6f8e34a98ffbf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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