HRID2132423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID26082

Benzenemethanol, 2-chloro-.alpha.-methyl-

C8H9ClO

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID305683

2,5-dimethyl 3-hydroxythiophene-2,5-dicarboxylate

C8H8O5S

PRODUCTS

生成物

结构：COC(=O)c1cc(OC(C)c2ccccc2Cl)c(C(=O)OC)s1

HCID57965599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bc4f9b4b2814cac9de53baa224d47cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:42][O:43][C:44](=[O:45])[c:46]1[s:47][c:48]([C:52](=[O:53])[O:54][CH3:55])[cH:49][c:50]1[OH:51].[Cl:13][c:14]1[c:15]([CH:20]([CH3:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[Cl:13][c:14]1[c:15]([CH:20]([CH3:21])[O:22][c:50]2[c:46]([C:44]([O:43][CH3:42])=[O:45])[s:47][c:48]([C:52](=[O:53])[O:54][CH3:55])[cH:49]2)[cH:16][cH:17][cH:18][cH:19]1