HRID119823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2cc(NC(=O)N3CCCC3)ncn2)c(F)c1

HCID11248939

未命名化合物

HCID12259960

phenylacetyl isocyanate

C9H7NO2

结构：Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1

HCID57677752

N-[4-(4-Amino-2-fluorophenoxy)-2-pyridinyl]-4-morpholinecarboxamide

C16H17FN4O3

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1

HCID57677500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4bd862fe39644d1b4c7751738d88755
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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