HRID670040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

结构：CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(C)C(=O)NCc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)OCc1ccccc1)C2(C)C

HCID178446702

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(N)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(C)C(=O)NCc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)OCc1ccccc1)C2(C)C

HCID178446669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca290dd8e06d470b839264e281efcabd
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

[CH2:80]([NH:81][CH2:82][CH3:83])[CH3:84].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:15]([c:16]1[CH2:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:14][c:13]1[c:8]([cH:9][cH:10][c:11]([O:76][CH3:77])[c:12]1[CH2:28][NH:29][C:30]([CH:31]([NH:32][C:33]([CH:34]([NH:35][C:36]([CH:37]([NH:38][C:39]([O:40][CH2:41][CH:42]1[c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]3-[c:49]3[c:50]1[cH:51][cH:52][cH:53][cH:54]3)=[O:55])[CH:56]([CH3:57])[CH2:58][CH3:59])=[O:60])[CH2:61][c:62]1[cH:63][cH:64][c:65]([O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[cH:66][cH:67]1)=[O:73])[CH3:74])=[O:75])[C:7]2([CH3:78])[CH3:79].[CH3:85][N:86]([CH3:87])[CH:88]=[O:89]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:15]([c:16]1[CH2:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:14][c:13]1[c:8]([cH:9][cH:10][c:11]([O:76][CH3:77])[c:12]1[CH2:28][NH:29][C:30]([CH:31]([NH:32][C:33]([CH:34]([NH:35][C:36]([CH:37]([NH2:38])[CH:56]([CH3:57])[CH2:58][CH3:59])=[O:60])[CH2:61][c:62]1[cH:63][cH:64][c:65]([O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[cH:66][cH:67]1)=[O:73])[CH3:74])=[O:75])[C:7]2([CH3:78])[CH3:79]