HRID1219931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID97389

2,4-Oxazolidinedione

C3H3NO3

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID67396768

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1COC(=O)N1CCCc1cc(-c2ccc(Cl)cc2)ncn1

HCID67396730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5c3fa622955a48189e99865bd7af0a23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][c:22]([CH2:26][CH2:27][CH2:28][OH:29])[n:23][cH:24][n:25]2)[cH:18][cH:19]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:30]1[C:31](=[O:36])[NH:32][C:33](=[O:35])[CH2:34]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:74].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Cl:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][c:22]([CH2:26][CH2:27][CH2:28][N:32]3[C:31](=[O:36])[O:30][CH2:34][C:33]3=[O:35])[n:23][cH:24][n:25]2)[cH:18][cH:19]1