HRID164133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：CC1(C)OC2C(CO)CC(n3cnc4c(Cl)ncnc43)C2O1

HCID18725685

未命名化合物

HCID178454374

未命名化合物

PRODUCTS

生成物

HCID13097

Triphenylphosphine oxide

C18H15OP

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d2dc491959645178b87d5b3cef73166
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:23]([NH:24][SH:25](=[O:26])=[O:27])([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[n:8][cH:9][n:10]2[CH:11]1[CH:12]2[O:16][C:13]([CH3:14])([CH3:15])[O:17][CH:18]2[CH:19]([CH2:20][OH:21])[CH2:22]1.[O:53]=[C:54]([O:55][CH:56]([CH3:57])[CH3:58])[N:59]=[N:60][C:61]([O:62][CH:63]([CH3:64])[CH3:65])=[O:66].[c:34]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[O:16]=[P:40]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1