HRID1535201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccc(C#N)nc1

HCID66607886

未命名化合物

结构：CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(Br)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475932

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(-c4ccc(C#N)nc4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25ed82d74f474fa68b6c5616f14a2501
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34]([Br:37])[cH:35][cH:36]3)[c:27]([CH3:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH2:38]([Sn:39]([CH2:40][CH2:41][CH2:42][CH3:51])([c:43]1[cH:44][cH:45][c:46]([C:49]#[N:50])[n:47][cH:48]1)[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cu:114][I:115].[OH2:72].[Pd:73]([Cl:74])[Cl:75].[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34](-[c:43]4[cH:44][cH:45][c:46]([C:49]#[N:50])[n:47][cH:48]4)[cH:35][cH:36]3)[c:27]([CH3:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]