Sodium ion → 5,8-difluoro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine

HRID 2335033Notes

Reaction equation

HRID 2335033 reaction equation
[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:10][c:11]1[n:12][n:13][c:14]([NH:23][c:24]2[cH:25][cH:26][c:27]([O:30][c:31]3[n:32][cH:33][cH:34][cH:35][c:36]3-[c:37]3[n:38][c:39]([NH:43][CH3:44])[n:40][cH:41][cH:42]3)[cH:28][cH:29]2)[c:15]2[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[c:20]12.[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:63].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1(-[c:11]2[n:12][n:13][c:14]([NH:23][c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[n:32][cH:33][cH:34][cH:35][c:36]4-[c:37]4[n:38][c:39]([NH:43][CH3:44])[n:40][cH:41][cH:42]4)[cH:28][cH:29]3)[c:15]3[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[c:20]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 57756224HCID 57756224, compound

Product 1

HCID 577562545,8-difluoro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine

Sources & evidence

ORD record
ord-333e514bb0b74fc0ad7e2278ea0f863b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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