Acetonitrile → HCID 178466556, compound

HRID 281956Notes

Reaction equation

HRID 281956 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:26][CH:27]2[O:28][CH2:29][CH2:30][CH2:31]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH2:23][CH3:24])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[S:25])[s:9]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:42][C:43]#[N:44].[NH2:39][C:40]#[N:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:26][CH:27]2[O:28][CH2:29][CH2:30][CH2:31]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH2:23][CH3:24])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[N:41][C:40]#[N:39])[s:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 87179765HCID 87179765, compound

Product 1

HCID 178466556HCID 178466556, compound

Sources & evidence

ORD record
ord-82169fca835f45b5a22bb36844ac8c99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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