HRID212358

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID437645

Benzyl alaninate

C10H13NO2

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(C=CCC(=O)O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476109

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(C=CCC(=O)NC(C)C(=O)OCc3ccccc3)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31336ed77332448abf839cadbffee24a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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