HRID89509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7964

Chlorobenzene

C6H5Cl

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1

HCID15542883

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCS(C)(=O)=O)(c3ccccc3)C2)cc(OC)c1OC

HCID15542888

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC

HCID10212223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b046477c7df8421b80df6fcfcf500ff6
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

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