HRID126221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6340

Ethane, iodo-

C2H5I

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：COC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID10188816

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(C(=O)OC)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID57757103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9d15a9277fd401ea1e57be553ed0f2d
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

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