HRID1558664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：O=C(O)c1[nH]c(=O)n(C2CCCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1

HCID59292406

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)CC1

HCID24999588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84e50ac043c4453c8d921d8c84010f80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([n:17]2[c:18](=[O:31])[nH:19][c:20]([C:28](=[O:29])[OH:30])[c:21]2-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:14][CH2:15][CH2:16]1.[CH2:32]([Cl:33])[CH2:34][Cl:35].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[N:55]1([C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([n:17]2[c:18](=[O:31])[nH:19][c:20]([C:28](=[O:29])[N:58]3[CH2:57][CH2:56][N:55]([C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:60][CH2:59]3)[c:21]2-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:14][CH2:15][CH2:16]1