Benzyl Alcohol → HCID 21254098, compound

HRID 1201561Notes

Reaction equation

HRID 1201561 reaction equation
[Al+3:69].[CH2:1]([O:2][C:3](=[O:4])[NH:10][c:11]1[cH:12][c:13]2[c:14]([CH2:28][CH2:29][N:30]([CH2:31][CH2:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:15](-[c:20]3[cH:21][c:22]([CH3:27])[cH:23][c:24]([CH3:26])[cH:25]3)[nH:16][c:17]2[cH:18][cH:19]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:51]1.[CH3:52][O:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl-:68].[Cl-:70].[Cl-:71].[O-:72][N+:73]([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80].[OH:60][CH2:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[NH2:10][c:11]1[cH:12][c:13]2[c:14]([CH2:28][CH2:29][N:30]([CH2:31][CH2:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:15](-[c:20]3[cH:21][c:22]([CH3:27])[cH:23][c:24]([CH3:26])[cH:25]3)[nH:16][c:17]2[cH:18][cH:19]1

Participants

7

Reactant 6

HCID 244Benzyl AlcoholHCID 312Chloride3×HCID 7416NitrobenzeneHCID 7519AnisoleHCID 104727Aluminum CationHCID 70226998HCID 70226998, compound

Product 1

HCID 21254098HCID 21254098, compound

Sources & evidence

ORD record
ord-8b86b2c518d140cd9e092e9aa1eeb89d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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