Sodium ion → 1-(4-Hydroxyphenyl)-1-(4-cyanatophenyl)-cyclohexane

HRID 678236

Reaction equation

HRID 678236 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH2:33]([Cl:34])[Cl:35].[N:21]#[C:22][Cl:23].[Na+:28].[Na+:29].[Na+:31].[OH-:30].[OH2:32].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([c:14]3[cH:15][cH:16][c:17]([OH:20])[cH:18][cH:19]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([c:14]3[cH:15][cH:16][c:17]([O:20][C:22]#[N:21])[cH:18][cH:19]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 10477Cyanogen ChlorideHCID 19660Carbonate IonHCID 2324461,1-Bis(4-hydroxyphenyl)cyclohexane

Product 1

HCID 213958671-(4-Hydroxyphenyl)-1-(4-cyanatophenyl)-cyclohexane

Sources & evidence

ORD record
ord-9f85dfd3da8c4bdc9bac7932ed8a87d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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