Acetonitrile → HCID 178435475, compound

HRID 1539369Notes

Reaction equation

HRID 1539369 reaction equation
[Br:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][Br:37].[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:47][C:48]#[N:49].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[CH2:10][CH:9]([NH:14][C:15]([c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][CH:24]3[O:25][CH2:26][CH2:27][CH2:28]3)[cH:20][cH:21]1)=[O:29])[CH2:8][CH2:7]2>>[N:1]1([CH:2]([CH3:3])[c:4]2[cH:5][c:6]3[c:11]([cH:12][cH:13]2)[CH2:10][CH:9]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28]4)[cH:20][cH:21]2)=[O:29])[CH2:8][CH2:7]3)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 123681,6-DibromohexaneHCID 81531DiisopropylethylamineHCID 178463216HCID 178463216, compound

Product 1

HCID 178435475HCID 178435475, compound

Sources & evidence

ORD record
ord-e458bffa6255439ca0c8f54c5e15ee64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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