HRID192393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](OCCOCC(Oc1ncnc2c1cnn2-c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cn1)(c1ccccc1)c1ccccc1

HCID178455536

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cn1)C(COCCO)Oc1ncnc2c1cnn2-c1cccc(Cl)c1Cl

HCID76550421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a54087711e964ac3b3af780ed64619c4
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

[C:19]([Si:20]([c:21]1[cH:22][cH:23][cH:58][cH:59][cH:60]1)([O:24][CH2:25][CH2:26][O:27][CH2:28][CH:29]([C:30](=[O:31])[NH:32][c:33]1[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1)[O:40][c:41]1[c:42]2[c:43]([n:44][cH:45][n:46]1)[n:47](-[c:50]1[c:51]([Cl:57])[c:52]([Cl:56])[cH:53][cH:54][cH:55]1)[n:48][cH:49]2)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)([CH3:67])([CH3:68])[CH3:69].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[Cl-:70].[F-:1].[NH4+:71]>>[OH:24][CH2:25][CH2:26][O:27][CH2:28][CH:29]([C:30](=[O:31])[NH:32][c:33]1[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1)[O:40][c:41]1[c:42]2[c:43]([n:44][cH:45][n:46]1)[n:47](-[c:50]1[c:51]([Cl:57])[c:52]([Cl:56])[cH:53][cH:54][cH:55]1)[n:48][cH:49]2