Chloride → HCID 178475955, compound

HRID 111801

Reaction equation

HRID 111801 reaction equation
[C:10]([CH3:11])(=[O:12])[O:13][CH:14]1[CH:15]([N:30]=[N+:31]=[N-:32])[CH:16]([I:29])[O:17][CH:18]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[CH:19]1[O:20][C:21]([CH3:22])=[O:23].[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[CH3:35][C:36]#[N:37].[Cl-:34].[Cl-:38].[I-:1].[Li+:2].[Li+:33].[Na+:8].[Na+:9].[OH2:53].[S:3]([O-:4])([O-:5])(=[O:6])=[S:7]>>[C:10]([CH3:11])(=[O:12])[O:13][CH:14]1[CH:15]([N:30]=[N+:31]=[N-:32])[CH:16]([Cl:34])[O:17][CH:18]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[CH:19]1[O:20][C:21]([CH3:22])=[O:23]

Participants

11

Reactant 10

HCID 312Chloride2×HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 3283Diethyl EtherHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 28486Lithium ion2×HCID 30165Iodide IonHCID 178475956HCID 178475956, compound

Product 1

HCID 178475955HCID 178475955, compound

Sources & evidence

ORD record
ord-b81d3581bc4d4bd9b93b0fbc57cd305f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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