HRID676888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11116894

未命名化合物

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

HCID178476142

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)OCc3ccccc3)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ab1da3c5cd743f880a222e7da1a4f5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:44]([CH3:45])[CH3:46])[c:29]2[CH2:30][c:31]2[c:32]([CH3:43])[cH:33][c:34]([O:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[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].[CH2:73]([N:74]=[C:75]=[N:76][CH2:77][CH2:78][CH2:79][N:80]([CH3:81])[CH3:82])[CH3:83].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH3:90][CH2:91][N:92]([CH2:93][CH3:94])[CH2:95][CH3:96].[ClH:47].[ClH:72].[NH2:48][C:49]([C:50](=[O:51])[O:52][CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)([CH3:60])[CH3:61].[OH2:89].[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]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:44]([CH3:45])[CH3:46])[c:29]2[CH2:30][c:31]2[c:32]([CH3:43])[cH:33][c:34]([O:37][CH2:38][CH2:39][C:40](=[O:41])[NH:48][C:49]([C:50](=[O:51])[O:52][CH2:53][c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)([CH3:60])[CH3:61])[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]