Sodium ion → HCID 178424441, compound

HRID 681102Notes

Reaction equation

HRID 681102 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:1]1([c:4]2[c:5]([O-:6])[c:7]([CH3:11])[cH:8][cH:9][cH:10]2)[CH2:2][CH2:3]1.[CH:29]1([c:30]2[cH:31][cH:32][cH:33][c:34]([CH3:35])[c:36]2[OH:37])[CH2:38][CH2:39]1.[Na+:12].[O:13]=[C:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[OH2:47].[OH:20][c:21]1[c:22]([Cl:28])[n:23][n:24][c:25]([Cl:27])[cH:26]1>>[CH:1]1([c:4]2[c:5]([O:6][c:22]3[c:21]([OH:20])[cH:26][c:25]([Cl:27])[n:24][n:23]3)[c:7]([CH3:11])[cH:8][cH:9][cH:10]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7967CyclohexanoneHCID 229399512-Cyclopropyl-6-methylphenolHCID 178424439HCID 178424439, compoundHCID 178516198HCID 178516198, compound

Product 1

HCID 178424441HCID 178424441, compound

Sources & evidence

ORD record
ord-3990ab82fa684efe9eccf99bf0800921
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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