Phenol → HCID 66689398, compound

HRID 2123895Notes

Reaction equation

HRID 2123895 reaction equation
[CH2:1]([C:2]([CH2:3][CH3:4])([c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH2:19])[CH3:20].[CH:21]1([NH:24][C:25]([c:26]2[cH:27][c:28](-[n:33]3[c:34](=[O:52])[c:35]([NH:39][C:40]([CH2:41][CH3:42])([c:43]4[c:44]([OH:49])[cH:45][cH:46][cH:47][cH:48]4)[CH2:50][CH3:51])[n:36][cH:37][cH:38]3)[c:29]([CH3:32])[cH:30][cH:31]2)=[O:53])[CH2:22][CH2:23]1.[Cl:61][CH2:62][CH2:63][Br:64].[OH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH:21]1([NH:24][C:25]([c:26]2[cH:27][c:28](-[n:33]3[c:34](=[O:52])[c:35]([NH:39][C:40]([CH2:41][CH3:42])([c:43]4[c:44]([O:49][CH2:63][CH2:62][Cl:61])[cH:45][cH:46][cH:47][cH:48]4)[CH2:50][CH3:51])[n:36][cH:37][cH:38]3)[c:29]([CH3:32])[cH:30][cH:31]2)=[O:53])[CH2:22][CH2:23]1

Participants

5

Reactant 4

HCID 996PhenolHCID 78491-Bromo-2-ChloroethaneHCID 66688783HCID 66688783, compoundHCID 66689314HCID 66689314, compound

Product 1

HCID 66689398HCID 66689398, compound

Sources & evidence

ORD record
ord-45386bbbd47a40d09bd6da2a7946224a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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