Acetonitrile → HCID 178500526, compound

HRID 1543205Notes

Reaction equation

HRID 1543205 reaction equation
[C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])(=[O:45])[NH:46][c:47]1[n:48][c:49]([OH:59])[c:50]2[c:51]([n:52]1)[n:53][cH:54][c:55]([C:57]#[CH:58])[cH:56]2.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][C:69]#[N:70].[I-:60].[I:1][c:2]1[n:3]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:4][c:5]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[C:17](=[O:18])[O:19][CH3:20])[n:6]1>>[c:2]1([C:58]#[C:57][c:55]2[cH:54][n:53][c:51]3[c:50]([c:49]([OH:59])[n:48][c:47]([NH:46][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[n:52]3)[cH:56]2)[n:3]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:4][c:5]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[C:17](=[O:18])[O:19][CH3:20])[n:6]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 178437079HCID 178437079, compoundHCID 178500527HCID 178500527, compound

Product 1

HCID 178500526HCID 178500526, compound

Sources & evidence

ORD record
ord-81b83c7ce1fd46b3915110d6ac36fa8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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