HRID207541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID19709

3,3-Dimethylbutylamine

C6H15N

结构：O=C(O)CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21

HCID59263485

未命名化合物

结构：O=C(O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F

HCID68596550

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F

HCID59352465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ce86f2e0443463f979e1ce309dcbcc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:2][NH:3][CH3:4].[CH3:5][C:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH2:11].[ClH:1].[O:12]=[C:13]1[N:14]([CH2:33][c:34]2[cH:35][c:36]([C:43](=[O:44])[OH:45])[c:37]([C:39]([F:40])([F:41])[F:42])[o:38]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]12[CH2:22][O:23][c:24]1[c:25]2[cH:26][c:27]2[c:28]([cH:32]1)[O:29][CH2:30][O:31]2.[O:46]=[C:47]1[C:48]2([CH2:49][O:50][c:51]3[cH:52][c:53]4[c:54]([cH:55][c:56]32)[CH2:57][CH2:58][O:59]4)[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[N:66]1[CH2:67][C:68]([OH:69])=[O:70]>>[CH3:2][N:3]([CH3:4])[C:43]([c:36]1[cH:35][c:34]([CH2:33][N:14]2[C:13](=[O:12])[C:21]3([c:20]4[c:15]2[cH:16][cH:17][cH:18][cH:19]4)[CH2:22][O:23][c:24]2[c:25]3[cH:26][c:27]3[c:28]([cH:32]2)[O:29][CH2:30][O:31]3)[o:38][c:37]1[C:39]([F:40])([F:41])[F:42])=[O:45]