HRID209976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID5943

Carbon tetrachloride

CCl4

HCID7187

Benzoyl peroxide

C14H10O4

HCID8028

Tetrahydrofuran

C4H8O

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：COc1cccc(F)c1Oc1cc(CN2CCN(C)CC2)ccc1N

HCID66998865

未命名化合物

结构：COc1cccc(F)c1Oc1cccc(C)c1[N+](=O)[O-]

HCID66999033

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(F)c1Oc1cc(CN2CCN(C)CC2)ccc1NC(=O)Nc1nccs1

HCID59733138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-312fdb18552d48c88abeb65bbffbb1b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[C:29]([O:30][O:31][C:39]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:46])(=[O:38])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[Cl:78][C:79]([Cl:80])([Cl:81])[Cl:82].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([O:7][CH3:8])[c:9]1[O:10][c:11]1[c:12]([N+:13]([O-:14])=[O:15])[c:16]([CH3:17])[cH:18][cH:19][cH:20]1.[F:47][c:48]1[c:49]([O:50][c:51]2[c:52]([NH2:53])[cH:54][cH:55][c:56]([CH2:58][N:59]3[CH2:60][CH2:61][N:62]([CH3:65])[CH2:63][CH2:64]3)[cH:57]2)[c:66]([O:70][CH3:71])[cH:67][cH:68][cH:69]1.[NH2:72][c:73]1[s:74][cH:75][cH:76][n:77]1>>[C:39](=[O:46])([NH:53][c:52]1[c:51]([O:50][c:49]2[c:48]([F:47])[cH:69][cH:68][cH:67][c:66]2[O:70][CH3:71])[cH:57][c:56]([CH2:58][N:59]2[CH2:60][CH2:61][N:62]([CH3:65])[CH2:63][CH2:64]2)[cH:55][cH:54]1)[NH:72][c:73]1[s:74][cH:75][cH:76][n:77]1