Toluene → HCID 178498591, compound

HRID 162928Notes

Reaction equation

HRID 162928 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]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].[NH2:22][O:23][CH:24]1[CH2:25][CH:26]([C:36](=[O:37])[O:38][CH3:39])[N:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:28]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=[N:22][O:23][CH:24]1[CH2:25][CH:26]([C:36](=[O:37])[O:38][CH3:39])[N:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:28]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 670654051-O-tert-butyl 2-O-methyl 4-aminooxypyrrolidine-1,2-dicarboxylateHCID 751038762-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidine-5-thione

Product 1

HCID 178498591HCID 178498591, compound

Sources & evidence

ORD record
ord-4dfde8234f6642a5b7f55e7554e05103
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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