Sodium ion → HCID 178424441, compound

HRID 85994

Reaction equation

HRID 85994 reaction equation
[CH3:13][CH:14]([OH:15])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]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:31]1([c:32]2[cH:33][cH:34][cH:35][c:36]([CH3:37])[c:38]2[OH:39])[CH2:40][CH2:41]1.[Na+:12].[OH2:49].[OH:22][c:23]1[c:24]([Cl:30])[n:25][n:26][c:27]([Cl:29])[cH:28]1>>[CH:1]1([c:4]2[c:5]([O:6][c:24]3[c:23]([OH:22])[cH:28][c:27]([Cl:29])[n:26][n:25]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 200832-OctanolHCID 229399512-Cyclopropyl-6-methylphenolHCID 178424439HCID 178424439, compoundHCID 178516198HCID 178516198, compound

Product 1

HCID 178424441HCID 178424441, compound

Sources & evidence

ORD record
ord-5e773d40daa0426b8a603965f47abba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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