HRID2343538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)Cn1ccc2ccc(OCc3c(C)nc(-c4ccc(C(F)(F)F)cc4)nc3CCOC)cc21

HCID69637739

未命名化合物

PRODUCTS

生成物

结构：COCCc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1COc1ccc2ccn(CC(=O)O)c2c1

HCID11214179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e73ffe131a1e4848878e3702525281ae
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

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