HRID2327055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2734690

Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-

C6H14F3NO2S

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CN(C(=O)OC(C)(C)C)C3)n(C)c2n1

HCID59605874

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(F)CN(C(=O)OC(C)(C)C)C3)n(C)c2n1

HCID59605419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-356188f10a644674a32a622d594c7709
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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