1,2-Dimethoxyethane → 2-[3,5-Dichloro-4-[3-(3,5-dimethylpiperidine-1-carbonyl)-4-hydroxyphenoxy]phenyl]-1,2,4-triazine-3,5-dione

HRID 672277Notes

Reaction equation

HRID 672277 reaction equation
[CH2:50]([CH2:51][O:52][CH3:53])[O:54][CH3:55].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][CH:43]1[CH2:44][NH:45][CH2:46][CH:47]([CH3:49])[CH2:48]1.[O:1]=[C:2]1[CH2:3][CH2:4][C:5](=[O:6])[N:7]1[O:8][C:9]([c:10]1[c:11]([OH:33])[cH:12][cH:13][c:14]([O:16][c:17]2[c:18]([Cl:32])[cH:19][c:20](-[n:24]3[n:25][cH:26][c:27](=[O:31])[nH:28][c:29]3=[O:30])[cH:21][c:22]2[Cl:23])[cH:15]1)=[O:34]>>[O:8]=[C:9]([c:10]1[c:11]([OH:33])[cH:12][cH:13][c:14]([O:16][c:17]2[c:18]([Cl:32])[cH:19][c:20](-[n:24]3[n:25][cH:26][c:27](=[O:31])[nH:28][c:29]3=[O:30])[cH:21][c:22]2[Cl:23])[cH:15]1)[N:45]1[CH2:44][CH:43]([CH3:42])[CH2:48][CH:47]([CH3:49])[CH2:46]1

Participants

5

Reactant 4

HCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 1182593,5-DimethylpiperidineHCID 865938795-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-3H-(1,2,4]triazin-2-yl)-phenoxy]-2-hydroxy-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester

Product 1

HCID 99578162-[3,5-Dichloro-4-[3-(3,5-dimethylpiperidine-1-carbonyl)-4-hydroxyphenoxy]phenyl]-1,2,4-triazine-3,5-dione

Sources & evidence

ORD record
ord-c58dae8a5d94493a8d489128ab105dfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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