HRID115859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID22647269

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC(C)(C(Oc2n[nH]c3ccc(F)cc23)c2ccccc2F)C1

HCID68531441

未命名化合物

HCID178518866

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(C(Oc2n[nH]c3ccc(F)cc23)c2ccccc2F)C1

HCID68528358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-612e808ccc744528be978104d39595ee
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH3:14])([CH:15]([c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[O:23][c:24]2[n:25][nH:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][c:32]23)[CH2:11][CH2:12][CH2:13]1.[C:52]([O:53][C:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH:59]([CH2:60][O:61][S:62]([CH3:63])(=[O:64])=[O:65])[CH2:66]1)=[O:67])([CH3:68])([CH3:69])[CH3:70].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH3:88][OH:89].[ClH:75].[F:34][c:35]1[cH:36][c:37]2[c:38]([cH:39][cH:40]1)[n:41](-[c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[F:48])[n:49][c:50]2[OH:51].[NH2:71][C:72](=[O:73])[O-:74].[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH:15]([c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[O:23][c:24]2[n:25][nH:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][c:32]23)[CH2:11][CH2:12][CH2:13]1