HRID1149838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID136337804

未命名化合物

HCID178459101

未命名化合物

PRODUCTS

生成物

结构：CCC(CNC(=O)OC(C)(C)C)C(CC)Oc1cccc2ccc(-c3nnc4ccccn34)nc12

HCID178449785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f98bead3f6ee4e17a1996c78ce3a7bf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:21]([CH3:22])[CH:23]([CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH:33]([CH2:34][CH3:35])[OH:36].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[O:56]=[C:57]([O:58][CH2:59][CH3:60])[N:61]=[N:62][C:63]([O:64][CH2:65][CH3:66])=[O:67].[OH2:73].[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.[n:1]1[n:2][c:3](-[c:10]2[n:11][c:12]3[c:13]([OH:20])[cH:14][cH:15][cH:16][c:17]3[cH:18][cH:19]2)[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1[n:2][c:3](-[c:10]2[n:11][c:12]3[c:13]([O:20][CH:33]([CH:23]([CH2:21][CH3:22])[CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:34][CH3:35])[cH:14][cH:15][cH:16][c:17]3[cH:18][cH:19]2)[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2