Acetonitrile → HCID 54548203, compound

HRID 159917Notes

Reaction equation

HRID 159917 reaction equation
[C:1]([CH2:2][CH3:3])(=[O:4])[c:5]1[cH:6][n:7][c:8]2[c:9]([O:16][CH2:17][CH2:18][CH2:19][S:20][CH2:21][CH2:22][CH3:23])[cH:10][cH:11][cH:12][c:13]2[c:14]1[Cl:15].[CH3:32][C:33]#[N:34].[NH2:24][c:25]1[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]1>>[C:1]([CH2:2][CH3:3])(=[O:4])[c:5]1[cH:6][n:7][c:8]2[c:9]([O:16][CH2:17][CH2:18][CH2:19][S:20][CH2:21][CH2:22][CH3:23])[cH:10][cH:11][cH:12][c:13]2[c:14]1[NH:24][c:25]1[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7242O-ToluidineHCID 54337959HCID 54337959, compound

Product 1

HCID 54548203HCID 54548203, compound

Sources & evidence

ORD record
ord-92629f188e2f4f239b6c77e87b9ce4fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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