Methanol → Pyrrolidine-1-carboxylic acid {4-[3-chloro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide

HRID 1551739Notes

Reaction equation

HRID 1551739 reaction equation
[CH3:37][OH:38].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[F:44][c:45]1[cH:46][c:47]([NH:48][C:49]([NH:50][C:51](=[O:52])[CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)=[S:60])[cH:61][cH:62][c:63]1[O:64][c:65]1[n:66][cH:67][n:68][c:69]([NH:70][C:71]([N:72]2[CH2:73][CH2:74][CH2:75][CH2:76]2)=[O:77])[cH:78]1.[NH2:1][c:2]1[c:3]([Cl:23])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:10][cH:11][cH:12]2)[cH:21][cH:22]1.[OH2:36].[c:24]1([CH2:30][C:31](=[O:32])[N:33]=[C:34]=[O:35])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([c:2]1[c:3]([Cl:23])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:10][cH:11][cH:12]2)[cH:21][cH:22]1)[C:34]([NH:33][C:31]([CH2:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:32])=[O:35]

Participants

8

Reactant 7

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11248939Pyrrolidine-1-carboxylic acid {6-[2-fluoro-4-(3-phenylacetylthioureido)phenoxy]pyrimidin-4-yl}amideHCID 12259960Phenylacetyl isocyanateHCID 231535334-(4-Amino-3-chlorophenoxy)-2-[(pyrrolidin-1-yl)carbonylamino]pyridine

Product 1

HCID 57677481Pyrrolidine-1-carboxylic acid {4-[3-chloro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide

Sources & evidence

ORD record
ord-f502041a702d4ed2b6630d2973fa70ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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