Water → 2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine

HRID 1241132Notes

Reaction equation

HRID 1241132 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:14][c:15]3[n:16][cH:17][c:18]([N+:33]([O-:34])=[O:35])[c:19]([NH:21][CH:22]4[CH2:23][CH2:24][O:25][c:26]5[c:27]([F:32])[cH:28][cH:29][cH:30][c:31]54)[n:20]3)[cH:9][cH:10][c:11]([F:13])[cH:12]2)[cH:36][cH:37][c:38]([O:40][CH3:41])[cH:39]1.[OH2:42]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:14][c:15]3[n:16][cH:17][c:18]([NH2:33])[c:19]([NH:21][CH:22]4[CH2:23][CH2:24][O:25][c:26]5[c:27]([F:32])[cH:28][cH:29][cH:30][c:31]54)[n:20]3)[cH:9][cH:10][c:11]([F:13])[cH:12]2)[cH:36][cH:37][c:38]([O:40][CH3:41])[cH:39]1

Participants

4

Reactant 3

HCID 962WaterHCID 8028TetrahydrofuranHCID 597271282-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine

Product 1

HCID 597270832-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine

Sources & evidence

ORD record
ord-928d67f6289247eaa5269925455fe92f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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