Water → 6-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

HRID 110737Notes

Reaction equation

HRID 110737 reaction equation
[C:45]([CH3:46])(=[O:47])[NH:48][c:49]1[cH:50][cH:51][c:52]2[cH:53][c:54]([C:58](=[O:59])[OH:60])[nH:55][c:56]2[cH:57]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[NH2:25][CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:81].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:25]([CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1)[C:58]([c:54]1[cH:53][c:52]2[cH:51][cH:50][c:49]([NH:48][C:45]([CH3:46])=[O:47])[cH:57][c:56]2[nH:55]1)=[O:59]

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrileHCID 594515286-(acetylamino)-1H-indole-2-carboxylic acid

Product 1

HCID 594513686-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-c622cfa9ce7e4d8098d09dabe7df7c93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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