HRID803255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6341

Ethanamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1NCc1ccccc1

HCID58425660

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1NCc1ccccc1

HCID46199220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e8979be74f24616a24508831d2fc773
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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