HRID2133315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID562212

4-Benzyloxy-1-butanol

C11H16O2

结构：CC(=O)Nc1cccc(-n2c(=O)[nH]c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1

HCID59717419

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(-n2c(=O)n(CCCCOCc3ccccc3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1

HCID59717314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-393d748ab05941cfa5a519da16121217
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

[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][CH2:43][CH2:44][CH2:45][CH2:46][OH:47].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:34])[c:12](=[O:33])[c:13]([CH3:32])[c:14]3[n:15](-[c:22]4[cH:23][c:24]([NH:28][C:29]([CH3:30])=[O:31])[cH:25][cH:26][cH:27]4)[c:16](=[O:21])[nH:17][c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[O:67]=[C:68]([O:69][CH:70]([CH3:71])[CH3:72])[N:73]=[N:74][C:75]([O:76][CH:77]([CH3:78])[CH3:79])=[O:80].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:92].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:34])[c:12](=[O:33])[c:13]([CH3:32])[c:14]3[n:15](-[c:22]4[cH:23][c:24]([NH:28][C:29]([CH3:30])=[O:31])[cH:25][cH:26][cH:27]4)[c:16](=[O:21])[n:17]([CH2:46][CH2:45][CH2:44][CH2:43][O:42][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1