Methanol → 3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide

HRID 300435Notes

Reaction equation

HRID 300435 reaction equation
[CH3:68][O-:69].[CH3:77][OH:78].[CH3:82][CH2:83][CH2:84][CH2:85][CH2:86][CH3:87].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([F:17])[cH:16]3)[n:7]1.[Cl:79][CH2:80][Cl:81].[N:35]1([CH:41]2[CH2:42][CH2:43][N:44]([c:47]3[cH:48][c:49]([O:54][CH3:55])[c:50]([NH2:51])[cH:52][cH:53]3)[CH2:45][CH2:46]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[Na+:70].[OH2:56].[OH:71][CH2:72][C:73]([F:74])([F:75])[F:76].[c:57]1([CH3:58])[cH:59][cH:60][c:61]([S:62]([OH:63])(=[O:64])=[O:65])[cH:66][cH:67]1>>[c:2]1([NH:51][c:50]2[c:49]([O:54][CH3:55])[cH:48][c:47]([N:44]3[CH2:43][CH2:42][CH:41]([N:35]4[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]4)[CH2:46][CH2:45]3)[cH:53][cH:52]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([F:17])[cH:16]3)[n:7]1

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 3826051MethoxideHCID 594529173-[3-(2-chloro-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluoro-phenyl)benzamideHCID 597120872-Methoxy-4-[4-(1-piperidyl)-1-piperidyl]aniline

Product 1

HCID 594527303-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide

Sources & evidence

ORD record
ord-5d29eb86d38040caadbf3fe3936725f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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