HRID213452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6809

Phthalimide

C8H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：O=[N+]([O-])c1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC1CCC(N2CC(O)C2)CC1

HCID25169325

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)N1C1CN(C2CCC(CNc3nc(NCc4ccccc4OC(F)(F)F)ncc3[N+](=O)[O-])CC2)C1

HCID57885518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-773bacdf384448bb8d1dcd658ac73f24
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

[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[CH3:88][CH2:89][O:90][C:91]([CH3:92])=[O:93].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([N:31]3[CH2:32][CH:33]([OH:35])[CH2:34]3)[CH2:29][CH2:30]2)[n:6][c:7]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:8][cH:9]1.[Na+:82].[O-:78][C:79]([OH:80])=[O:81].[O:36]=[C:37]1[NH:38][C:39](=[O:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]21.[O:66]=[C:67]([O:68][CH2:69][CH3:70])[N:71]=[N:72][C:73]([O:74][CH2:75][CH3:76])=[O:77].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([N:31]3[CH2:32][CH:33]([N:38]4[C:37](=[O:36])[c:46]5[c:41]([cH:42][cH:43][cH:44][cH:45]5)[C:39]4=[O:40])[CH2:34]3)[CH2:29][CH2:30]2)[n:6][c:7]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:8][cH:9]1