HRID664122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID18464564

2-(3-Phenylpyrrolidin-3-yl)ethan-1-ol

C12H17NO

结构：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCNC3)CC2)nc2ccccc21

HCID18464677

未命名化合物

HCID18464865

未命名化合物

结构：COc1ccc(C(=O)OC(C(=O)O)(C(=O)c2ccc(OC)cc2)C(O)C(=O)O)cc1

HCID53442701

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(-n5cnnn5)ccc4S(C)(=O)=O)C3)CC2)nc2ccccc21

HCID18464479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80b35c51c9e64163944d499f06db0ef4
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:36]([O:37][C:38]([C:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]1)([CH:49]([C:50]([OH:51])=[O:52])[OH:53])[C:54]([OH:55])=[O:56])(=[O:57])[c:58]1[cH:59][cH:60][c:61]([O:62][CH3:63])[cH:64][cH:65]1.[CH2:119]([N:120]=[C:121]=[N:122][CH2:123][CH2:124][CH2:125][N:126]([CH3:127])[CH3:128])[CH3:129].[CH2:2]([CH3:3])[O:4][CH2:5][CH2:6][n:7]1[c:8]([N:16]2[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25]3([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][NH:27][CH2:28][CH2:29]3)[CH2:20][CH2:21][CH2:22]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[CH3:130][CH2:131][O:132][C:133](=[O:134])[CH3:135].[CH3:80][S:81](=[O:82])(=[O:83])[c:84]1[c:85]([C:86](=[O:87])[OH:88])[cH:89][c:90](-[n:93]2[n:94][n:95][n:96][cH:97]2)[cH:91][cH:92]1.[CH:109]([N:110]([CH2:111][CH3:112])[CH:113]([CH3:114])[CH3:115])([CH3:116])[CH3:117].[Cl:136][CH2:137][Cl:138].[ClH:118].[ClH:1].[OH2:98].[OH:99][n:100]1[c:101]2[cH:102][cH:103][cH:104][cH:105][c:106]2[n:107][n:108]1.[c:66]1([C:67]2([CH2:68][CH2:69][OH:70])[CH2:71][CH2:72][NH:73][CH2:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH2:2]([CH3:3])[O:4][CH2:5][CH2:6][n:7]1[c:8]([N:16]2[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25]3([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][N:27]([C:86]([c:85]4[c:84]([S:81]([CH3:80])(=[O:82])=[O:83])[cH:92][cH:91][c:90](-[n:93]5[n:94][n:95][n:96][cH:97]5)[cH:89]4)=[O:87])[CH2:28][CH2:29]3)[CH2:20][CH2:21][CH2:22]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2