Diethyl Ether → 1-(3-Diethylaminopropyl)-3-{4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}-1-methylurea

HRID 680343Notes

Reaction equation

HRID 680343 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][N:7]([C:8](=[O:9])[NH:10][c:11]1[n:12][cH:13][cH:14][c:15]([O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:16]1)[CH3:26])[CH2:27][CH3:28].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[F:57][c:58]1[cH:59][c:60]([NH:61][C:62]([NH:63][C:64](=[O:65])[CH2:66][c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)=[S:73])[cH:74][cH:75][c:76]1[O:77][c:78]1[n:79][cH:80][n:81][c:82]([NH:83][C:84]([N:85]2[CH2:86][CH2:87][CH2:88][CH2:89]2)=[O:90])[cH:91]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[c:29]1([CH2:35][C:36](=[O:37])[N:38]=[C:39]=[O:40])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][N:7]([C:8](=[O:9])[NH:10][c:11]1[n:12][cH:13][cH:14][c:15]([O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH:24][C:39]([NH:38][C:36]([CH2:35][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:37])=[O:40])[cH:22][cH:23]2)[cH:16]1)[CH3:26])[CH2:27][CH3:28]

Participants

8

Reactant 7

HCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 11248939Pyrrolidine-1-carboxylic acid {6-[2-fluoro-4-(3-phenylacetylthioureido)phenoxy]pyrimidin-4-yl}amideHCID 12259960Phenylacetyl isocyanateHCID 231533361-(3-Diethylaminopropyl)-3-[4-(4-amino-2-fluorophenoxy)pyridin-2-yl]-1-methylurea

Product 1

HCID 576773561-(3-Diethylaminopropyl)-3-{4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}-1-methylurea

Sources & evidence

ORD record
ord-ca6dfe6363ad4d229c0e7a60a1971d12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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