HRID1537880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID334924

未命名化合物

HCID57517429

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1c1cncc(C(=O)c2ccc(F)cc2)c1

HCID67340920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1f9871b69bb480fae0e84ce3c011e5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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