HRID1134500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4455752

[Bis(dimethylamino)methylidene]chloranium

C5H12ClN2+

HCID59625668

未命名化合物

结构：CC(C)CNC1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178448811

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1cc(C(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178495258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f238bb8eca74a4abf3bbec407a275d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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