Acetonitrile → HCID 59254929, compound

HRID 198354Notes

Reaction equation

HRID 198354 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:46][C:47]#[N:48].[CH:40]([CH3:41])([CH3:42])[N:43]=[C:44]=[O:45].[Cl:1][c:2]1[c:3](-[c:16]2[n:17][c:18]3[c:23]([cH:24][n:25]2)[CH2:22][CH2:21][c:20]2[c:19]-3[s:28][c:27]([NH:29][C:30]([CH3:31])=[O:32])[n:26]2)[cH:4][c:5]([C:8]#[C:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:16]2[n:17][c:18]3[c:23]([cH:24][n:25]2)[CH2:22][CH2:21][c:20]2[c:19]-3[s:28][c:27]([NH:29][C:30]([CH3:31])=[O:32])[n:26]2)[cH:4][c:5]([C:8]#[C:9][CH:10]2[CH2:11][CH2:12][N:13]([C:44]([NH:43][CH:40]([CH3:41])[CH3:42])=[O:45])[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 61277Isopropyl isocyanateHCID 59254925HCID 59254925, compound

Product 1

HCID 59254929HCID 59254929, compound

Sources & evidence

ORD record
ord-219db471f57a445c9672b602d552c5a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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