HRID119550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15158

Ethyl dichlorophosphate

C2H5Cl2O2P

结构：COc1cc2c(c(OC)c1OC)-c1ccc(OC3OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C3OC(=O)C(C)C)cc1C(NC(C)=O)CC2

HCID178486688

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(O)Oc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2

HCID178476991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dce03e8557484249aa3f9c7a9a78004d
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

[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][CH:2]([CH3:3])[C:4]([O:5][CH:6]1[CH:7]([O:8][C:9](=[O:10])[CH:11]([CH3:12])[CH3:13])[CH:14]([CH2:15][O:16][C:17](=[O:18])[CH:19]([CH3:20])[CH3:21])[O:22][CH:23]([O:25][c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:50]2)[CH:31]([NH:46][C:47]([CH3:48])=[O:49])[CH2:32][CH2:33][c:34]2[c:35]-3[c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]2)[CH:24]1[O:51][C:52](=[O:53])[CH:54]([CH3:55])[CH3:56])=[O:57].[OH2:65].[P:58](=[O:59])([O:60][CH2:61][CH3:62])([Cl:63])[Cl:64]>>[O:25]([c:26]1[cH:27][cH:28][c:29]2[c:30]([cH:50]1)[CH:31]([NH:46][C:47]([CH3:48])=[O:49])[CH2:32][CH2:33][c:34]1[c:35]-2[c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]1)[P:58](=[O:59])([O:60][CH2:61][CH3:62])[OH:65]