Acetonitrile → HCID 54058840, compound

HRID 2145260Notes

Reaction equation

HRID 2145260 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][CH3:21])[cH:10][cH:11][cH:12][c:13]2[c:14]1[Cl:15].[CH3:30][C:31]#[N:32].[NH2:22][c:23]1[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]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][CH3:21])[cH:10][cH:11][cH:12][c:13]2[c:14]1[NH:22][c:23]1[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7242O-ToluidineHCID 53943659HCID 53943659, compound

Product 1

HCID 54058840HCID 54058840, compound

Sources & evidence

ORD record
ord-99fbb353d2474be6b3abf63a39907d84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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