HRID829004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID520721

1,3-Dimethyl-1H-pyrazol-5-amine

C5H9N3

结构：O=C(O)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505481

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)c2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1

HCID57505497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9149837a77e43e8ad59c407994e7a47
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

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