HRID1537307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID11413552

未命名化合物

HCID178446636

未命名化合物

PRODUCTS

生成物

结构：CCCCC(NC(=O)OCC1(COc2ccnc(Cl)n2)CCC1)C(O)C(=O)NC(C)c1ccccc1

HCID178446739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b929d19769b547d1a484027292a9cd27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl-:49].[Cl:16][C:17]([Cl:18])=[O:19].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][C:10]2([CH2:14][OH:15])[CH2:11][CH2:12][CH2:13]2)[n:7]1.[Cl:50][CH2:51][Cl:52].[NH2:20][CH:21]([CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH3:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[OH:34])[CH2:35][CH2:36][CH2:37][CH3:38].[Na+:48].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][C:10]2([CH2:14][O:15][C:17](=[O:19])[NH:20][CH:21]([CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH3:27])[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:11][CH2:12][CH2:13]2)[n:7]1