Acetonitrile → HCID 53940201, compound

HRID 195258Notes

Reaction equation

HRID 195258 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][S:19][CH3:20])[cH:10][cH:11][cH:12][c:13]2[c:14]1[Cl:15].[CH3:29][C:30]#[N:31].[NH2:21][c:22]1[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]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][S:19][CH3:20])[cH:10][cH:11][cH:12][c:13]2[c:14]1[NH:21][c:22]1[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7242O-ToluidineHCID 54113854HCID 54113854, compound

Product 1

HCID 53940201HCID 53940201, compound

Sources & evidence

ORD record
ord-04e27a54478e4f458dd74b5c8eb56719
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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