HRID102375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID81531

Diisopropylethylamine

C8H19N

结构：FC(F)(F)c1cccc(CN(CCCOc2cccc(N3CCNCC3)c2)CC(c2ccccc2)c2ccccc2)c1Cl

HCID59701425

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN1CCN(c2cccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)c2)CC1

HCID69252741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa102c1e635545689943b91b416b1055
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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