HRID185156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID22539

Ethanol, 2-(o-tolyloxy)-

C9H12O2

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：COc1cc(NC(=O)C(F)(F)F)ccc1C(=O)N1CCCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc21

HCID18001054

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N(CCOc2ccccc2C)C(=O)C(F)(F)F)ccc1C(=O)N1CCCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc21

HCID18001098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f9414705fe340f1b8493613823db0d9
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

[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:39]1)[CH:7]([CH2:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]1)[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[c:14]([O:26][CH3:27])[cH:15][c:16]([NH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25])[cH:17][cH:18]1)=[O:28].[O:70]=[C:71]([O:72][CH2:73][CH3:74])[N:75]=[N:76][C:77]([O:78][CH2:79][CH3:80])=[O:81].[O:82]1[CH2:83][CH2:84][CH2:85][CH2:86]1.[OH2:87].[OH:59][CH2:60][CH2:61][O:62][c:63]1[c:64]([CH3:69])[cH:65][cH:66][cH:67][cH:68]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:39]1)[CH:7]([CH2:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]1)[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[c:14]([O:26][CH3:27])[cH:15][c:16]([N:19]([C:20]([C:21]([F:22])([F:23])[F:24])=[O:25])[CH2:60][CH2:61][O:62][c:63]2[c:64]([CH3:69])[cH:65][cH:66][cH:67][cH:68]2)[cH:17][cH:18]1)=[O:28]