Dimethyl Sulfoxide → N-[4-(6-Cyano-7-oxiranylmethoxyquinolin-4-yloxy)-2-fluorophenyl]-N'-(thiazol-2-yl)urea

HRID 1122924Notes

Reaction equation

HRID 1122924 reaction equation
[CH3:1][S:2]([CH3:3])=[O:4].[NH2:20][c:21]1[c:22]([F:45])[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][n:29][c:30]3[cH:31][c:32]([O:38][CH2:39][CH:40]4[O:41][CH2:42]4)[c:33]([C:36]#[N:37])[cH:34][c:35]23)[cH:43][cH:44]1.[OH2:46].[s:5]1[c:6]([NH:10][C:11]([O:12][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:13])[n:7][cH:8][cH:9]1>>[s:5]1[c:6]([NH:10][C:11](=[O:12])[NH:20][c:21]2[c:22]([F:45])[cH:23][c:24]([O:25][c:26]3[cH:27][cH:28][n:29][c:30]4[cH:31][c:32]([O:38][CH2:39][CH:40]5[O:41][CH2:42]5)[c:33]([C:36]#[N:37])[cH:34][c:35]34)[cH:43][cH:44]2)[n:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 651148phenyl N-(1,3-thiazol-2-yl)carbamateHCID 229362494-(4-Amino-3-fluorophenoxy)-7-oxiranylmethoxyquinoline-6-carbonitrile

Product 1

HCID 22936623N-[4-(6-Cyano-7-oxiranylmethoxyquinolin-4-yloxy)-2-fluorophenyl]-N'-(thiazol-2-yl)urea

Sources & evidence

ORD record
ord-6995f304029a4bd483bd890b14699708
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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