HRID2152060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)Cn1cc(CC)c2cc(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21

HCID69279669

未命名化合物

PRODUCTS

生成物

结构：CCc1cn(CC(=O)O)c2ccc(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)cc12

HCID11363494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8f56b39bf9495d9abd456c398fb0b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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