HRID94763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID10998202

未命名化合物

结构：CCOC(=O)CCCc1cc(C(=O)c2ccc(O)cc2)c2ccccn12

HCID11824313

未命名化合物

PRODUCTS

生成物

结构：CCCC(Oc1ccc(C(=O)c2cc(CCCC(=O)OCC)n3ccccc23)cc1)c1ccc(CC(C)C)cc1

HCID11734238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3f537d3cc8b4f799ba859ecda8efcef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:27]([CH:28]([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][c:34]([CH:37]([CH2:38][CH2:39][CH3:40])[OH:41])[cH:35][cH:36]1.[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH3:85][C:86](=[O:87])[OH:88].[O:61]=[C:62]([O:63][CH2:64][CH3:65])[N:66]=[N:67][C:68]([O:69][CH2:70][CH3:71])=[O:72].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][c:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][c:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1)[CH:37]([c:34]1[cH:33][cH:32][c:31]([CH2:27][CH:28]([CH3:29])[CH3:30])[cH:36][cH:35]1)[CH2:38][CH2:39][CH3:40]