HRID184224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：COCC(COC)n1cc(C(=O)O)c(=O)c2cc(I)ccc21

HCID59416009

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COCC(COC)n1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2cc(I)ccc21

HCID59415902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5834a254397145b195930f019748fb7a
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

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