tert-Butyl 4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxyquinoline-6-carboxylate → 3-Methoxyphenylacetyl isothiocyanate

HRID 2135535Notes

Reaction equation

HRID 2135535 reaction equation
[F:1][c:2]1[cH:3][c:4]([NH:5][C:6]([NH:7][C:8](=[O:9])[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[S:17])[cH:18][cH:19][c:20]1[O:21][c:22]1[c:23]2[c:24]([cH:25][c:26]([O:27][CH3:28])[c:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37]2)[n:38][cH:39][cH:40]1.[F:41][c:42]1[c:43]([O:44][c:45]2[cH:46][cH:47][n:48][c:49]3[cH:50][c:51]([O:59][CH3:60])[c:52]([C:55](=[O:56])[NH:57][CH3:58])[cH:53][c:54]23)[cH:61][cH:62][c:63]([NH:65][C:66](=[S:67])[NH:68][C:69]([CH2:70][c:71]2[cH:72][c:73]([O:77][CH3:78])[cH:74][cH:75][cH:76]2)=[O:79])[cH:64]1>>[C:66](=[S:67])=[N:68][C:69]([CH2:70][c:71]1[cH:72][c:73]([O:77][CH3:78])[cH:74][cH:75][cH:76]1)=[O:79].[F:41][c:42]1[c:43]([O:44][c:45]2[cH:46][cH:47][n:48][c:49]3[cH:50][c:51]([O:59][CH3:60])[c:52]([C:55](=[O:56])[NH:57][CH3:58])[cH:53][c:54]23)[cH:61][cH:62][c:63]([NH2:65])[cH:64]1

Participants

4

Reactant 2

HCID 86650700tert-Butyl 4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxyquinoline-6-carboxylateHCID 866507194-(2-Fluoro-4-(3-(2-(3-methoxyphenyl)acetyl)thioureido)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamide

Product 2

HCID 435146413-Methoxyphenylacetyl isothiocyanateHCID 669163504-(4-amino-2-fluorophenoxy)-7-methoxy-N-methylquinoline-6-carboxamide

Sources & evidence

ORD record
ord-54c8ac4d9fd94167aa6a7b9eac88c213
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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