HRID90830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID77802

Benzenemethanamine, 3-chloro-

C7H8ClN

HCID2724942

未命名化合物

HCID22052520

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2cc3c(cc2C2CCCC12)CCC3NCc1cccc(Cl)c1

HCID22052511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-681fa1f160ea4b24a3b05148c4c6eced
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:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[CH2:1]1[CH2:2][CH2:3][CH:4]2[C:5](=[O:18])[NH:6][c:7]3[cH:8][c:9]4[c:10]([cH:11][c:12]3[CH:13]12)[CH2:14][CH2:15][C:16]4=[O:17].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:19][c:20]1[cH:21][c:22]([CH2:23][NH2:24])[cH:25][cH:26][cH:27]1.[Cl:46][CH2:47][CH2:48][Cl:49].[Na+:41]>>[CH2:1]1[CH2:2][CH2:3][CH:4]2[C:5](=[O:18])[NH:6][c:7]3[cH:8][c:9]4[c:10]([cH:11][c:12]3[CH:13]12)[CH2:14][CH2:15][CH:16]4[NH:24][CH2:23][c:22]1[cH:21][c:20]([Cl:19])[cH:27][cH:26][cH:25]1