Acetonitrile → HCID 66593271, compound

HRID 1226063Notes

Reaction equation

HRID 1226063 reaction equation
[CH2:21]([O:22][P:23]([O:24][n:25]1[c:26](=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1)([O:36][CH2:37][CH3:38])=[O:39])[CH3:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50].[N+:10](=[O:11])([O-:12])[c:13]1[c:14]([NH2:20])[cH:15][cH:16][c:17]([NH2:19])[cH:18]1.[n:1]1([CH2:6][C:7](=[O:8])[OH:9])[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][C:7](=[O:9])[NH:19][c:17]2[cH:16][cH:15][c:14]([NH2:20])[c:13]([N+:10](=[O:11])[O-:12])[cH:18]2)[cH:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 656129Imidazole-1-acetic acidHCID 42939953-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-oneHCID 43383702-Nitro-4-phenylenediamine

Product 1

HCID 66593271HCID 66593271, compound

Sources & evidence

ORD record
ord-67aeb8ce87a342e683d0bbb4e435eb66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…