Acetonitrile → HCID 178480570, compound

HRID 2132277Notes

Reaction equation

HRID 2132277 reaction equation
[CH3:52][C:53]#[N:54].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][CH2:11][CH2:12][N:13]([CH:14]1[CH2:15][O:16][c:17]2[c:18]([cH:47][cH:48][cH:49][cH:50]2)-[c:19]2[n:20]([c:22]3[cH:23][c:24]([C:35](=[O:36])[NH:37][S:38](=[O:39])(=[O:40])[N:41]4[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]4)[cH:25][cH:26][c:27]3[c:28]2[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH2:21]1)[CH3:51]>>[CH2:11]1[CH2:12][N:13]([CH3:51])[CH:14]2[CH2:15][O:16][c:17]3[c:18]([cH:47][cH:48][cH:49][cH:50]3)-[c:19]3[n:20]([c:22]4[cH:23][c:24]([cH:25][cH:26][c:27]4[c:28]3[CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[C:35](=[O:36])[NH:37][S:38](=[O:39])(=[O:40])[N:41]3[CH2:42][CH2:43][N:44]1[CH2:45][CH2:46]3)[CH2:21]2

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 178483686HCID 178483686, compound

Product 1

HCID 178480570HCID 178480570, compound

Sources & evidence

ORD record
ord-28c21f675ef848a89142ab7bd7bea8b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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