Chloride → HCID 14301772, compound

HRID 2322289Notes

Reaction equation

HRID 2322289 reaction equation
[CH2:31]([N+:32]([CH2:33][CH3:34])([CH2:35][CH3:36])[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH3:44].[Cl-:30].[Cl:5][c:6]1[c:7]([CH:15]([C:16]#[N:17])[c:18]2[cH:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[cH:22][cH:23]2)[cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]1.[ClH:29].[I:1][CH3:2].[Na+:4].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:3]>>[CH3:2][C:15]([c:7]1[c:6]([Cl:5])[cH:11][c:10]([N+:12](=[O:13])[O-:14])[cH:9][cH:8]1)([C:16]#[N:17])[c:18]1[cH:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[cH:22][cH:23]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 17208BenzyltriethylammoniumHCID 21288308HCID 21288308, compound

Product 1

HCID 14301772HCID 14301772, compound

Sources & evidence

ORD record
ord-594feefd58ab4c8793708654fa7c820e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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