HRID183484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

反应SMILES：COc1cc2ncc(NC3CCC(O)CC3)nc2cc1OC

HCID9796455

CHEMBL104074

C16H21N3O3

PRODUCTS

产物

HCID22573157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d132b32729f74ec1924c7a1ead6a7a5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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