HRID680308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1048

Pyrazole

C3H4N2

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID3028194

Lithium

结构：CCOC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c1Cl

HCID14013771

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c1-n1cccn1

HCID14013861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aad9778296044833991872e808d05021
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[F:11][CH:12]([c:13]1[c:14]([C:29](=[O:30])[O:31][CH3:32])[c:15]([Cl:28])[c:16]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:17]([C:19]([F:20])([F:21])[F:22])[n:18]1)[F:33].[Li:34].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:45].[nH:1]1[n:2][cH:3][cH:4][cH:5]1.[nH:35]1[cH:36][cH:37][cH:38][n:39]1>>[n:1]1(-[c:15]2[c:14]([C:29](=[O:30])[O:31][CH3:32])[c:13]([CH:12]([F:11])[F:33])[n:18][c:17]([C:19]([F:20])([F:21])[F:22])[c:16]2[C:23](=[O:24])[O:25][CH2:26][CH3:27])[n:2][cH:3][cH:4][cH:5]1