HRID304023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2795465

2,5-dimethyl-1,3-oxazole-4-carboxylic acid

C6H7NO3

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1)OC(c1cccc(OCC2CCCCC2)c1)CO3

HCID178499769

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)c1nc(C)oc1C)OC(c1cccc(OCC2CCCCC2)c1)CO3

HCID178499759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b1bf104a3c4479c9e3f08a87271a3c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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