HRID2144616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8134

Diethylene glycol monomethyl ether

C5H12O3

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

结构：Cc1ccccc1C(=O)c1ccc(Nc2ccccc2NC(=O)CCC(=O)O)cc1Cl

HCID9845903

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOC(=O)CCC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1

HCID69663252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82170e5fc1144412a22ceaf1c090f15e
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

[CH3:51][O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][OH:58].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]([NH:24][C:25]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])=[O:31])[cH:20][cH:21][cH:22][cH:23]2)[cH:5][cH:6][c:7]1[C:8]([c:9]1[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]1)=[O:16].[OH2:59].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]([NH:24][C:25]([CH2:26][CH2:27][C:28]([O:29][CH2:57][CH2:56][O:55][CH2:54][CH2:53][O:52][CH3:51])=[O:30])=[O:31])[cH:20][cH:21][cH:22][cH:23]2)[cH:5][cH:6][c:7]1[C:8]([c:9]1[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]1)=[O:16]