Acetonitrile → HCID 10461651, compound

HRID 1222369Notes

Reaction equation

HRID 1222369 reaction equation
[CH3:51][C:52]([Cl:53])=[O:54].[CH3:55][C:56]#[N:57].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[N:17]([CH3:18])[c:19]3[c:20]([Cl:39])[c:21]([CH2:26][O:27][c:28]4[cH:29][cH:30][cH:31][c:32]5[cH:33][cH:34][c:35]([CH3:38])[n:36][c:37]45)[c:22]([Cl:25])[cH:23][cH:24]3)[n:12]2[CH3:13])[cH:40][cH:41]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[N:17]([CH3:18])[c:19]3[c:20]([Cl:39])[c:21]([CH2:26][O:27][c:28]4[cH:29][cH:30][cH:31][c:32]5[cH:33][cH:34][c:35]([CH3:38])[n:36][c:37]45)[c:22]([Cl:25])[cH:23][cH:24]3)[n:12]2[CH3:13])[cH:40][cH:41]1)[C:52]([CH3:51])=[O:54]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6367Acetyl chlorideHCID 81531DiisopropylethylamineHCID 22288562HCID 22288562, compound

Product 1

HCID 10461651HCID 10461651, compound

Sources & evidence

ORD record
ord-5df1da5197c8437d933535531fada7df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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