Ethanol → HCID 58498059, compound

HRID 2146315Notes

Reaction equation

HRID 2146315 reaction equation
[BH:48]([OH:49])[OH:50].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]([c:10]1[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]1)([OH:17])[c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1)=[O:25].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][n:36][nH:37][cH:38]2)[O:39]1.[CH3:56][CH2:57][OH:58].[CH3:59][OH:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[K+:45].[K+:46].[K+:47].[OH2:68].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[nH:51]1[cH:52][cH:53][cH:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]([c:10]1[cH:11][cH:12][c:13](-[c:34]2[cH:35][n:36][nH:37][cH:38]2)[cH:14][cH:15]1)([OH:17])[c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1)=[O:25]

Participants

11

Reactant 10

HCID 702EthanolHCID 813Potassium Cation3×HCID 887MethanolHCID 962WaterHCID 1048PyrazoleHCID 1061PhosphateHCID 1140TolueneHCID 61668Boronic AcidHCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 584980571,1-Dimethylethyl N-[2-(4-chlorophenyl)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate

Product 1

HCID 58498059HCID 58498059, compound

Sources & evidence

ORD record
ord-2c46c9faf8c6483bb4de0dd8f7cd7e6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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