Acetonitrile → HCID 19899254, compound

HRID 2130958Notes

Reaction equation

HRID 2130958 reaction equation
[CH2:8]([CH3:9])[c:10]1[c:11]([NH:27][C:28](=[S:29])[NH:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:12]([CH2:25][CH3:26])[cH:13][c:14]([N:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:23]=[O:24])[cH:15]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:44][C:45]#[N:46].[Cl:36][c:37]1[cH:38][cH:39][cH:40][cH:41][n+:42]1[CH3:43].[I-:35]>>[CH2:8]([CH3:9])[c:10]1[c:11]([N:27]=[C:28]=[N:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:12]([CH2:25][CH3:26])[cH:13][c:14]([N:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:23]=[O:24])[cH:15]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 1670702-Chloro-1-methylpyridiniumHCID 19899242HCID 19899242, compound

Product 1

HCID 19899254HCID 19899254, compound

Sources & evidence

ORD record
ord-86ec1df236a9403687d1d05511f48273
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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