HRID1145928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)Cn1ccc2cc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3CCOC)ccc21

HCID69641981

未命名化合物

PRODUCTS

生成物

结构：COCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1COc1ccc2c(ccn2CC(=O)O)c1

HCID11248727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-595ec41ab1134279acd35e1471ab6189
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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