Acetonitrile → HCID 178431348, compound

HRID 1137196Notes

Reaction equation

HRID 1137196 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][C:11]#[C:12][c:13]1[cH:14][c:15]([N:19]2[C:20](=[O:25])[NH:21][CH2:22][C:23]2=[O:24])[cH:16][cH:17][cH:18]1.[CH2:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[NH:58][CH2:59][CH:60]([OH:61])[c:62]1[cH:63][c:64]2[c:65]([cH:72][cH:73]1)[O:66][C:67]([CH3:70])([CH3:71])[O:68][CH2:69]2.[CH3:74][C:75]#[N:76].[CH:77]([N:78]([CH:79]([CH3:80])[CH3:81])[CH2:82][CH3:83])([CH3:84])[CH3:85].[I:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][C:36]#[C:37][c:38]1[cH:39][c:40]([N:41]2[C:42](=[O:43])[CH2:44][NH:45][C:46]2=[O:47])[cH:48][cH:49][cH:50]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][C:11]#[C:12][c:13]1[cH:14][c:15]([N:19]2[C:20](=[O:25])[NH:21][CH2:22][C:23]2=[O:24])[cH:16][cH:17][cH:18]1)[N:58]([CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH2:59][CH:60]([OH:61])[c:62]1[cH:63][c:64]2[c:65]([cH:72][cH:73]1)[O:66][C:67]([CH3:70])([CH3:71])[O:68][CH2:69]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 218670753-(3-{4-[(6-Bromohexyl)oxy]but-1-ynyl}phenyl)imidazolidine-2,4-dioneHCID 218670893-(3-{4-[(6-Iodohexyl)oxy]but-1-ynyl}phenyl)imidazolidine-2,4-dioneHCID 218671622-(benzylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol

Product 1

HCID 178431348HCID 178431348, compound

Sources & evidence

ORD record
ord-c6330b70a1524103a321071dd95f2114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…