HRID682557

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

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

HCID18464677

未命名化合物

HCID18464865

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-0b895004b9de43429736dda121f09a04
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

[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.[CH2:75]([N:76]=[C:77]=[N:78][CH2:79][CH2:80][CH2:81][N:82]([CH3:83])[CH3:84])[CH3:85].[CH3:36][S:37](=[O:38])(=[O:39])[c:40]1[c:41]([C:42](=[O:43])[OH:44])[cH:45][c:46](-[n:49]2[n:50][n:51][n:52][cH:53]2)[cH:47][cH:48]1.[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:92][CH2:93][Cl:94].[ClH:1].[ClH:74].[OH2:54].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]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:42]([c:41]4[c:40]([S:37]([CH3:36])(=[O:38])=[O:39])[cH:48][cH:47][c:46](-[n:49]5[n:50][n:51][n:52][cH:53]5)[cH:45]4)=[O:43])[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