HRID103700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID5196

Semicarbazide

CH5N3O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID88038988

未命名化合物

PRODUCTS

生成物

HCID5196

Semicarbazide

CH5N3O

结构：O=C(O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID87949838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3add457bfed642ac9d3d00c91c6ca0d1
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:15]2.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:66][N:67]([CH3:68])[CH2:69][CH2:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH3:76].[Cl:77][CH2:78][Cl:79].[ClH:52].[ClH:65].[NH2:53][NH:54][C:55](=[O:56])[NH2:57].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16](=[O:17])[OH:18])[CH2:15]2.[NH2:53][NH:54][C:55](=[O:56])[NH2:57]