HRID1209973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID7019465

1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C14H11F2NO4

结构：CN(C1CCN(C(=O)OC(C)(C)C)CC1)C1(C2CCNC2)CC1

HCID68892124

未命名化合物

PRODUCTS

生成物

结构：COc1c(N2CCC(C3(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID69492481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a536e9c5fb4f4974ac454bd5728b42b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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