Hydrochloric Acid → N-(2,6-difluorophenyl)-3-[8-fluoro-3-(2-{[2-(methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 320177Notes

Reaction equation

HRID 320177 reaction equation
[CH3:35][O:36][c:37]1[c:38]([NH2:39])[cH:40][cH:41][c:42]([N:44]2[CH2:45][CH2:46][CH:47]([N:50]3[CH2:51][CH2:52][N:53]([CH2:56][CH2:57][S:58](=[O:59])(=[O:60])[CH3:61])[CH2:54][CH2:55]3)[CH2:48][CH2:49]2)[cH:43]1.[CH3:69][O-:70].[CH3:78][OH:79].[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[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][cH:15][c:16]3[F:17])[n:7]1.[Cl:80][CH2:81][Cl:82].[ClH:62].[Na+:71].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[OH:72][CH2:73][C:74]([F:75])([F:76])[F:77]>>[c:2]1([NH:39][c:38]2[c:37]([O:36][CH3:35])[cH:43][c:42]([N:44]3[CH2:45][CH2:46][CH:47]([N:50]4[CH2:51][CH2:52][N:53]([CH2:56][CH2:57][S:58](=[O:59])(=[O:60])[CH3:61])[CH2:54][CH2:55]4)[CH2:48][CH2:49]3)[cH:41][cH:40]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][cH:15][c:16]3[F:17])[n:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 312751,4-DioxaneHCID 3826051MethoxideHCID 594528703-[3-(2-chloro-4-pyrimidinyl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamideHCID 598602832-(Methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)aniline

Product 1

HCID 59860284N-(2,6-difluorophenyl)-3-[8-fluoro-3-(2-{[2-(methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Sources & evidence

ORD record
ord-d5dfd5702a4d4f79b527479ac00f4073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…