Water → HCID 178428020, compound

HRID 1145414Notes

Reaction equation

HRID 1145414 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH:11]2[CH2:12][N:13]([c:17]3[cH:18][c:19]([CH3:32])[c:20](-[n:24]4[c:25](=[O:31])[c:26]([OH:30])[cH:27][cH:28][cH:29]4)[c:21]([CH3:23])[cH:22]3)[C:14](=[O:16])[O:15]2)[s:6]1.[Cl:33][CH2:34][CH2:35][Br:36].[Cs+:41].[Cs+:42].[OH2:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH:11]2[CH2:12][N:13]([c:17]3[cH:18][c:19]([CH3:32])[c:20](-[n:24]4[c:25](=[O:31])[c:26]([O:30][CH2:35][CH2:34][Cl:33])[cH:27][cH:28][cH:29]4)[c:21]([CH3:23])[cH:22]3)[C:14](=[O:16])[O:15]2)[s:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 78491-Bromo-2-ChloroethaneHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 178428019HCID 178428019, compound

Product 1

HCID 178428020HCID 178428020, compound

Sources & evidence

ORD record
ord-ba85798d2721425ebda0173c35084507
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…