HRID135030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID10131212

3-Ethoxy-4-ethoxycarbonylphenylacetic acid

C13H16O5

HCID10422052

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)cc1OCC

HCID13729227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d36fa4d995b94d40b6e9d5d67c6b0dfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:45]([Cl:46])([Cl:47])([Cl:48])[Cl:49].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:15][C:16](=[O:17])[OH:18])[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH:51]([CH2:52][CH:53]([c:54]1[c:55]([N:60]2[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]2)[cH:56][cH:57][cH:58][cH:59]1)[NH2:66])[CH3:67].[CH3:68][C:69]#[N:70].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:15][C:16](=[O:18])[NH:66][CH:53]([CH2:52][CH:51]([CH3:50])[CH3:67])[c:54]2[c:55]([N:60]3[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]3)[cH:56][cH:57][cH:58][cH:59]2)[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]