HRID665606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID596264

未命名化合物

结构：COC(=O)NC(C(=O)N1CC(C)CC1c1nc2ccc3cc4c(cc3c2[nH]1)OCc1cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)[nH]2)ccc1-4)C(C)C

HCID178502192

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)COc2cc4c(ccc5nc(C6CC(C)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]c54)cc2-3)[nH]1)c1ccccc1

HCID178502179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-224840c257d44ad5a12f3a73bf654109
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

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