HRID190544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：CCOC(=O)c1c(OC(C)C)cc(OC(C)C)nc1C(F)(F)F

HCID13726788

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(OC(C)C)nc(C(F)(F)F)c(C(=O)OCC)c1OC(C)C

HCID13726801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b5e3126bacf41cc83dff0ec41e01af0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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