Chloride → N-{2,5-Difluoro-4-[(2-{([3-hydroxyazetidin-1-yl)carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HRID 1152685Notes

Reaction equation

HRID 1152685 reaction equation
[CH2:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[CH3:26].[CH3:3][O:4][c:5]1[n:6][c:7]([O:8][CH3:9])[n:10][c:11]([N+:12]2([CH3:13])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:19]1.[Cl-:2].[F:27][c:28]1[c:29]([NH:50][C:51](=[O:52])[C:53]2([C:56](=[O:57])[OH:58])[CH2:54][CH2:55]2)[cH:30][c:31]([F:49])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:48])[CH2:47]3)[n:38][cH:39][cH:40]2)[cH:33]1.[NH2:59][c:60]1[cH:61][cH:62][c:63]([F:64])[cH:65][cH:66]1.[Na+:67].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH2:1].[OH:68][C:69](=[O:70])[O-:71]>>[F:27][c:28]1[c:29]([NH:50][C:51](=[O:52])[C:53]2([C:56](=[O:57])[NH:59][c:60]3[cH:61][cH:62][c:63]([F:64])[cH:65][cH:66]3)[CH2:54][CH2:55]2)[cH:30][c:31]([F:49])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:48])[CH2:47]3)[n:38][cH:39][cH:40]2)[cH:33]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 97314-FluoroanilineHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 247885621-[[2,5-Difluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

Product 1

HCID 16116909N-{2,5-Difluoro-4-[(2-{([3-hydroxyazetidin-1-yl)carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-c059f5f275c947fe9c3c627d55fefff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…