Hydroxide → 3-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N4-ethyl-1H-pyrrole-2,4-dicarboxamide
Reaction equation
[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3]([C:12]([O:14][CH3:13])=[O:15])[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][CH3:11].[Li+:16].[NH2:51][CH2:52][c:53]1[c:54]([F:70])[c:55]([O:60][c:61]2[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]2)[c:56]([Cl:59])[cH:57][cH:58]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH-:17].[OH2:76].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:1][c:2]1[c:3]([C:12](=[O:14])[NH:51][CH2:52][c:53]2[c:54]([F:70])[c:55]([O:60][c:61]3[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]3)[c:56]([Cl:59])[cH:57][cH:58]2)[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][CH3:11]Participants
11
Reactant 10
HCID 961Hydroxide
HCID 962Water
HCID 6228Dimethylformamide
HCID 8028Tetrahydrofuran
HCID 9886Hexafluorophosphate
HCID 28486Lithium ion
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile
HCID 68488034methyl 3-chloro-4-[(ethylamino)carbonyl]-1H-pyrrole-2-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-fa196a1eabb64f94b0a9b0f72981d944
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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