Acetonitrile → HCID 42633832, compound

HRID 1546988Notes

Reaction equation

HRID 1546988 reaction equation
[CH2:32]([CH3:33])[c:34]1[n:35][c:36]([NH2:41])[s:37][c:38]1[S:39][CH3:40].[CH3:1][O:2][CH2:3][CH2:4][c:5]1[c:6]([CH3:14])[cH:7][c:8]([S:10](=[O:11])(=[O:12])[NH2:13])[s:9]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:42][C:43]#[N:44].[Cl:15][C:16](=[O:17])[O:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][O:2][CH2:3][CH2:4][c:5]1[c:6]([CH3:14])[cH:7][c:8]([S:10](=[O:11])(=[O:12])[NH:13][C:16](=[O:17])[NH:41][c:36]2[n:35][c:34]([CH2:32][CH3:33])[c:38]([S:39][CH3:40])[s:37]2)[s:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 15891Phenyl chloroformateHCID 67274431HCID 67274431, compoundHCID 86630962HCID 86630962, compound

Product 1

HCID 42633832HCID 42633832, compound

Sources & evidence

ORD record
ord-1c08aaccab3148da9ab47f95426bdd58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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