HRID1218408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7680

Benzeneacetamide

C8H9NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID12259960

phenylacetyl isocyanate

C9H7NO2

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

HCID23153459

未命名化合物

PRODUCTS

生成物

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

HCID57677321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a56f1670bf54902a8da2f4265534629
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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