HRID190644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID736321

Ethyl pyridine-4-acetate

C9H11NO2

HCID3280088

未命名化合物

结构：CC(C)c1cc(-c2cccc(C(Cl)c3ccc(Cl)cc3)c2)c2ncccc2c1

HCID22350110

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(c1ccncc1)C(c1ccc(Cl)cc1)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1

HCID20814966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d0a6d62c1064fc4a7b3d29de8de5b3b
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

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