Water → N-(4-fluorophenyl)-N'-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-cyclopropane-1,1-dicarboxamide

HRID 149134Notes

Reaction equation

HRID 149134 reaction equation
[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[F:19][c:20]1[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[C:29]2([C:32](=[O:33])[OH:34])[CH2:30][CH2:31]2)[cH:24][cH:25]1.[F:1][c:2]1[cH:3][c:4]([NH2:18])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][n:14]1)[nH:15][cH:16][cH:17]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:66].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[F:1][c:2]1[cH:3][c:4]([NH:18][C:32]([C:29]2([C:27]([NH:26][c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]3)=[O:28])[CH2:30][CH2:31]2)=[O:33])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][n:14]1)[nH:15][cH:16][cH:17]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210815301-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic AcidHCID 589380223-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-phenylamine

Product 1

HCID 11698079N-(4-fluorophenyl)-N'-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-4d32d46a395b4345a341a1dee8c899cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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