Acetonitrile → HCID 10813316, compound

HRID 109134Notes

Reaction equation

HRID 109134 reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:47][C:48]#[N:49].[NH2:1][c:2]1[c:3]([O:17][c:18]2[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]2)[n:4][c:5]([O:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16]2)[cH:6][cH:7]1.[O:26]=[C:27]=[N:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:1]([c:2]1[c:3]([O:17][c:18]2[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]2)[n:4][c:5]([O:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16]2)[cH:6][cH:7]1)[C:27](=[O:26])[NH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 7672Phenyl isocyanateHCID 8058HexaneHCID 8857Ethyl AcetateHCID 10711354HCID 10711354, compound

Product 1

HCID 10813316HCID 10813316, compound

Sources & evidence

ORD record
ord-b86f13f698e744e1882432ec8550f362
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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