HRID1559333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID75994

1-Benzylpiperazine

C11H16N2

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCC(=O)NC(C)(C)C(=O)O)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476140

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCC(=O)NC(C)(C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf4b662ae824436882f04fbf93fdd02d
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

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:50]([CH3:51])[CH3:52])[c:29]2[CH2:30][c:31]2[c:32]([CH3:49])[cH:33][c:34]([O:37][CH2:38][CH2:39][C:40]([NH:41][C:42]([CH3:43])([CH3:44])[C:45](=[O:46])[OH:47])=[O:48])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[N:60]1[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[CH2:77]([N:78]=[C:79]=[N:80][CH2:81][CH2:82][CH2:83][N:84]([CH3:85])[CH3:86])[CH3:87].[CH3:88][N:89]([CH3:90])[CH:91]=[O:92].[CH3:94][CH2:95][N:96]([CH2:97][CH3:98])[CH2:99][CH3:100].[ClH:76].[OH2:93].[OH:66][n:67]1[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:50]([CH3:51])[CH3:52])[c:29]2[CH2:30][c:31]2[c:32]([CH3:49])[cH:33][c:34]([O:37][CH2:38][CH2:39][C:40]([NH:41][C:42]([CH3:43])([CH3:44])[C:45](=[O:46])[N:63]3[CH2:62][CH2:61][N:60]([CH2:53][c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[CH2:65][CH2:64]3)=[O:48])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]