Acetonitrile → HCID 69228139, compound

HRID 141621Notes

Reaction equation

HRID 141621 reaction equation
[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:44][C:45]#[N:46].[Cl:39][C:40](=[O:41])[O:42][CH3:43].[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[N:8]([CH:12]([C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH2:30])[cH:25][cH:26]3)[CH2:19][CH2:20]1)[CH3:31])[CH2:7][CH2:6][CH2:5]2>>[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[N:8]([CH:12]([C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH:30][C:40](=[O:41])[O:42][CH3:43])[cH:25][cH:26]3)[CH2:19][CH2:20]1)[CH3:31])[CH2:7][CH2:6][CH2:5]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6586Methyl chloroformateHCID 8471TriethylamineHCID 68724544HCID 68724544, compound

Product 1

HCID 69228139HCID 69228139, compound

Sources & evidence

ORD record
ord-99ef311067aa40a1a6c2fd7f3cdcc30e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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