Octyl isocyanate → 6-Arylpyrido[2,3-d]pyrimidine deriv. 54

Reaction equation

[CH2:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[N:39]=[C:40]=[O:41].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:15][cH:16]3)[n:28][c:29]2[NH2:30])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:15][cH:16]3)[n:28][c:29]2[NH:30][C:40]([NH:39][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])=[O:41])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

Reactant 2

HCID 76616Octyl isocyanate

HCID 53281486-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

Product 1

HCID 53281566-Arylpyrido[2,3-d]pyrimidine deriv. 54

Sources & evidence

ORD record: ord-ceefd043be8b4fbe8acc09b420a15247
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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