Acetonitrile → Chloride

HRID 1121505Notes

Reaction equation

HRID 1121505 reaction equation
[CH3:39][C:40]#[N:41].[Cl:30][CH2:31][C:32](=[O:33])[c:34]1[s:35][cH:36][cH:37][cH:38]1.[F:1][c:2]1[cH:3][c:4]([CH:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][N:14]3[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19]3)[NH:20][c:21]2[cH:22][c:23]([F:29])[c:24]([F:28])[c:25]([F:27])[cH:26]2)[cH:5][cH:6][cH:7]1>>[Cl-:30].[F:1][c:2]1[cH:3][c:4]([CH:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][N+:14]3([CH2:31][C:32](=[O:33])[c:34]4[s:35][cH:36][cH:37][cH:38]4)[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19]3)[NH:20][c:21]2[cH:22][c:23]([F:29])[c:24]([F:28])[c:25]([F:27])[cH:26]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 27579252-(Chloroacetyl)thiopheneHCID 67126887HCID 67126887, compound

Product 2

HCID 312ChlorideHCID 178521169HCID 178521169, compound

Sources & evidence

ORD record
ord-8ece498c152d4ea9816ef452d8e129db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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