Benzene → HCID 21897105, compound

HRID 2313731Notes

Reaction equation

HRID 2313731 reaction equation
[Cl:10][c:11]1[n:12][c:13]([NH:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[n:14][c:15]([NH:17][c:18]2[cH:19][c:20]([Cl:26])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:16]1.[Na+:9].[OH-:8].[OH:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[OH:1][CH:2]1[CH2:3][N:4]([c:11]2[n:12][c:13]([NH:27][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[n:14][c:15]([NH:17][c:18]3[cH:19][c:20]([Cl:26])[c:21]([O:24][CH3:25])[cH:22][cH:23]3)[n:16]2)[CH2:5][CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 232933-HydroxypiperidineHCID 218970216-chloro-N-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4-diamine

Product 1

HCID 21897105HCID 21897105, compound

Sources & evidence

ORD record
ord-3a4e492622fc4774b70df64211ca7f95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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