Chloride → HCID 22118462, compound

HRID 154420Notes

Reaction equation

HRID 154420 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH2:47]([N+:48]([CH2:49][CH3:50])([CH2:51][CH3:52])[CH2:53][CH3:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl-:46].[Cl:1][c:2]1[c:3]2[c:8]([c:9]([CH3:22])[cH:10][c:11]1[C:12](=[O:13])[c:14]1[cH:15][n:16][n:17]([CH2:20][CH3:21])[c:18]1[OH:19])[S:7](=[O:23])(=[O:24])[CH2:6][C:5]([CH3:25])([CH3:26])[C:4]2=[O:27].[Cl:61][CH2:62][Cl:63].[K+:32].[K+:33].[OH2:45].[c:34]1([CH3:44])[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1>>[Cl:1][c:2]1[c:3]2[c:8]([c:9]([CH3:22])[cH:10][c:11]1[C:12](=[O:13])[c:14]1[cH:15][n:16][n:17]([CH2:20][CH3:21])[c:18]1[O:19][S:40]([c:37]1[cH:36][cH:35][c:34]([CH3:44])[cH:39][cH:38]1)(=[O:41])=[O:42])[S:7](=[O:23])(=[O:24])[CH2:6][C:5]([CH3:25])([CH3:26])[C:4]2=[O:27]

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 17208BenzyltriethylammoniumHCID 19660Carbonate IonHCID 178463107HCID 178463107, compound

Product 1

HCID 22118462HCID 22118462, compound

Sources & evidence

ORD record
ord-b12200f1d50d4f61a4f32f8bfd36f3d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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