HRID1145034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：CCOC(=O)Cn1ccc2cc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21

HCID69641977

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1COc1ccc2c(ccn2CC(=O)O)c1

HCID11408074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-02d34b6d786b4ce98b71f094d20c7198
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]([CH3:33])[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:34].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Li+:35].[OH-:36]>>[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]([CH3:33])[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:34]