Methanol → N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 1137554Notes

Reaction equation

HRID 1137554 reaction equation
[CH3:74][O-:75].[CH3:83][OH:84].[CH3:88][CH2:89][CH2:90][CH2:91][CH2:92][CH3:93].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:26][c:27]4[c:28]([F:34])[cH:29][cH:30][cH:31][c:32]4[F:33])[cH:35][cH:36][cH:37]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]3)[n:7]1.[Cl:85][CH2:86][Cl:87].[F:38][CH2:39][CH2:40][N:41]1[CH2:42][CH2:43][N:44]([CH:47]2[CH2:48][CH2:49][N:50]([c:53]3[cH:54][c:55]([O:60][CH3:61])[c:56]([NH2:57])[cH:58][cH:59]3)[CH2:51][CH2:52]2)[CH2:45][CH2:46]1.[Na+:76].[OH2:62].[OH:77][CH2:78][C:79]([F:80])([F:81])[F:82].[c:63]1([CH3:64])[cH:65][cH:66][c:67]([S:68]([OH:69])(=[O:70])=[O:71])[cH:72][cH:73]1>>[c:2]1([NH:57][c:56]2[c:55]([O:60][CH3:61])[cH:54][c:53]([N:50]3[CH2:49][CH2:48][CH:47]([N:44]4[CH2:43][CH2:42][N:41]([CH2:40][CH2:39][F:38])[CH2:46][CH2:45]4)[CH2:52][CH2:51]3)[cH:59][cH:58]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:26][c:27]4[c:28]([F:34])[cH:29][cH:30][cH:31][c:32]4[F:33])[cH:35][cH:36][cH:37]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[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 594528983-[3-(2-chloro-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamideHCID 598602604-[4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl]-2-(methyloxy)aniline

Product 1

HCID 59452611N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Sources & evidence

ORD record
ord-18237297d1144fc2a161b1107c77e5d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…