Toluene → HCID 178433345, compound

HRID 114353Notes

Reaction equation

HRID 114353 reaction equation
[CH3:22][C:23]1([CH3:32])[O:24][CH2:25][CH:26]([CH2:28][CH2:29][O:30][NH2:31])[O:27]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[S:12]>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[N:31][O:30][CH2:29][CH2:28][CH:26]1[CH2:25][O:24][C:23]([CH3:22])([CH3:32])[O:27]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 23398497O-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]hydroxylamineHCID 751038762-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidine-5-thione

Product 1

HCID 178433345HCID 178433345, compound

Sources & evidence

ORD record
ord-dab6e1337c6d4763bbdd444c1731f72b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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