Hydrochloric Acid → N-(2,6-difluorophenyl)-5-(7-fluoro-3-{2-[(2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide

HRID 698283Notes

Reaction equation

HRID 698283 reaction equation
[CH3:37][O:38][c:39]1[c:40]([NH2:41])[cH:42][cH:43][c:44]([N:46]2[CH2:47][CH2:48][CH:49]([N:52]3[CH2:53][CH2:54][N:55]([S:58](=[O:59])(=[O:60])[CH3:61])[CH2:56][CH2:57]3)[CH2:50][CH2:51]2)[cH:45]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][cH:20][c:21]([O:35][CH3:36])[c:22]([C:23](=[O:24])[NH:25][c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[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: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:41][c:40]2[c:39]([O:38][CH3:37])[cH:45][c:44]([N:46]3[CH2:47][CH2:48][CH:49]([N:52]4[CH2:53][CH2:54][N:55]([S:58](=[O:59])(=[O:60])[CH3:61])[CH2:56][CH2:57]4)[CH2:50][CH2:51]3)[cH:43][cH:42]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([O:35][CH3:36])[c:22]([C:23](=[O:24])[NH:25][c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[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 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 312751,4-DioxaneHCID 3826051MethoxideHCID 574161512-(Methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}anilineHCID 594529085-[3-(2-chloro-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide

Product 1

HCID 25124476N-(2,6-difluorophenyl)-5-(7-fluoro-3-{2-[(2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide

Sources & evidence

ORD record
ord-2442f0b83e7b4a17b5943d33499c9e2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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