Acetonitrile → HCID 178490639, compound

HRID 173316Notes

Reaction equation

HRID 173316 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]2[O:24][CH2:25][CH2:26][CH2:27]2)[c:8](=[N:10][C:11](=[S:12])[c:13]2[c:14]([O:20][CH3:21])[cH:15][cH:16][c:17]([Cl:19])[cH:18]2)[s:9]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:38][C:39]#[N:40].[NH2:35][C:36]#[N:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]2[O:24][CH2:25][CH2:26][CH2:27]2)[c:8](=[N:10][C:11]([c:13]2[c:14]([O:20][CH3:21])[cH:15][cH:16][c:17]([Cl:19])[cH:18]2)=[N:37][C:36]#[N:35])[s:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 178490711HCID 178490711, compound

Product 1

HCID 178490639HCID 178490639, compound

Sources & evidence

ORD record
ord-db2e53b538384bd0bca5476445ce6fb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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