Water → N6-(2-Methoxyethyl)-4-(3-chloro-4-{[(cyclopropylamino)carbonyl]amino}phenoxy)-7-(2-methoxyethoxy)-6-quinolinecarboxamide

HRID 285062Notes

Reaction equation

HRID 285062 reaction equation
[CH3:34][O:35][CH2:36][CH2:37][NH2:38].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH2:20][CH2:21][O:22][CH3:23])[c:13]([C:16](=[O:17])[OH:18])[cH:14][c:15]23)[cH:24][cH:25][c:26]1[NH:27][C:28](=[O:29])[NH:30][CH:31]1[CH2:32][CH2:33]1.[OH2:79].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH2:20][CH2:21][O:22][CH3:23])[c:13]([C:16](=[O:18])[NH:38][CH2:37][CH2:36][O:35][CH3:34])[cH:14][c:15]23)[cH:24][cH:25][c:26]1[NH:27][C:28](=[O:29])[NH:30][CH:31]1[CH2:32][CH2:33]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 80182-MethoxyethylamineHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 589311914-(3-Chloro-4-{[(cyclopropylamino)carbonyl]amino)phenoxy)-7-(2-methoxyethoxy)-6-quinolinecarboxylic acid

Product 1

HCID 58930857N6-(2-Methoxyethyl)-4-(3-chloro-4-{[(cyclopropylamino)carbonyl]amino}phenoxy)-7-(2-methoxyethoxy)-6-quinolinecarboxamide

Sources & evidence

ORD record
ord-6e63c95b813643e9a4b8a4b7b9adf556
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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