Methanol → HCID 178426875, compound

HRID 101926Notes

Reaction equation

HRID 101926 reaction equation
[CH2:57]=[CH:58][C:59]#[N:60].[CH3:61][OH:62].[CH3:8][c:9]1[c:10]([O:11][CH2:12][CH:13]([CH2:14][NH:15][c:16]2[c:17](-[c:23]3[n:24][c:25]4[cH:26][c:27]5[c:31]([cH:32][c:33]4[nH:34]3)[C:30](=[O:35])[N:29]([CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[CH2:28]5)[c:18](=[O:22])[nH:19][cH:20][cH:21]2)[OH:42])[cH:43][cH:44][c:45]([CH3:47])[cH:46]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH3:8][c:9]1[c:10]([O:11][CH2:12][CH:13]([CH2:14][NH:15][c:16]2[c:17](-[c:23]3[n:24][c:25]4[cH:26][c:27]5[c:31]([cH:32][c:33]4[nH:34]3)[C:30](=[O:35])[N:29]([CH:36]3[CH2:37][CH2:38][N:39]([CH2:57][CH2:58][C:59]#[N:60])[CH2:40][CH2:41]3)[CH2:28]5)[c:18](=[O:22])[nH:19][cH:20][cH:21]2)[OH:42])[cH:43][cH:44][c:45]([CH3:47])[cH:46]1

Participants

6

Reactant 5

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 7855AcrylonitrileHCID 81531DiisopropylethylamineHCID 178426871HCID 178426871, compound

Product 1

HCID 178426875HCID 178426875, compound

Sources & evidence

ORD record
ord-2c9104abc29f44a3b73da83d6a873cc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…