Chloride → HCID 54389426, compound

HRID 306922

Reaction equation

HRID 306922 reaction equation
[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH3:13][O:14][c:15]1[cH:16][c:17]([CH2:25][C:26]#[N:27])[cH:18][c:19]([O:23][CH3:24])[c:20]1[O:21][CH3:22].[Cl-:30].[Cl:58][CH2:59][Cl:60].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][c:11]1[CH3:12].[Na+:29].[OH-:28].[OH2:57]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[C:25]([c:17]2[cH:16][c:15]([O:14][CH3:13])[c:20]([O:21][CH3:22])[c:19]([O:23][CH3:24])[cH:18]2)[C:26]#[N:27])[cH:9][cH:10][c:11]1[CH3:12]

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 21219MethyltricaprylylammoniumHCID 258873,4,5-TrimethoxyphenylacetonitrileHCID 17989983-Nitro-p-tolualdehyde

Product 1

HCID 54389426HCID 54389426, compound

Sources & evidence

ORD record
ord-c53b181d31394ac29ecf125f8aece88f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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