Benzene → HCID 10895908, compound

HRID 2151987Notes

Reaction equation

HRID 2151987 reaction equation
[BrH:25].[C:43](=[O:44])([O-:45])[O-:46].[CH3:20][S:21](=[O:22])(=[O:23])[Cl:24].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][C:63](=[O:64])[CH2:65][CH3:66].[K+:47].[K+:48].[OH2:67].[c:26]1([C:32]2([C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][CH2:17][CH2:18][OH:19].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][CH2:17][CH2:18][N:35]1[CH2:34][CH2:33][C:32]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:37][CH2:36]1

Participants

11

Reactant 10

HCID 241BenzeneHCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 32414NormeperidineHCID 1113956014341-94-7

Product 1

HCID 10895908HCID 10895908, compound

Sources & evidence

ORD record
ord-461e3dff931f4df4a8a61a730efd720f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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