1,2-Dichloroethane → HCID 77233902, compound

HRID 172903Notes

Reaction equation

HRID 172903 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[n:12][c:13]([CH2:26][Cl:27])[n:14]3[CH:15]([CH2:16][O:17][Si:18]([C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24])[CH3:25].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:29][CH2:30][CH2:31][CH2:32][N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45].[CH3:57][OH:58].[Cl:59][CH2:60][Cl:61].[Cl:63][CH2:64][CH2:65][Cl:66].[F-:28].[K+:51].[K+:52].[O-:53][C:54]([O-:55])=[O:56].[OH2:62]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[n:12][c:13]1[n:14]3[CH:15]([CH3:25])[CH2:16][O:17][CH2:26]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 178460633HCID 178460633, compound

Product 1

HCID 77233902HCID 77233902, compound

Sources & evidence

ORD record
ord-cf3c492fa17f45b2a55faf8766750ea0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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