HRID1556662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

反应SMILES：CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O

HCID23078874

未命名化合物

反应SMILES：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCCO)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476135

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCCN(C(C)(C)C(N)=O)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-07f103faedf54c4abc710f40b21dd6fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:43]([CH3:44])[CH3:45])[c:29]2[CH2:30][c:31]2[c:32]([CH3:42])[cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][OH:41])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:46][C:47]([C:48](=[O:49])[NH2:50])([CH3:51])[NH:52][S:53](=[O:54])(=[O:55])[c:56]1[c:57]([N+:62](=[O:63])[O-:64])[cH:58][cH:59][cH:60][cH:61]1.[O:84]=[C:85]([O:86][CH2:87][CH3:88])[N:89]=[N:90][C:91]([O:92][CH2:93][CH3:94])=[O:95].[O:96]1[CH2:97][CH2:98][CH2:99][CH2:100]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:43]([CH3:44])[CH3:45])[c:29]2[CH2:30][c:31]2[c:32]([CH3:42])[cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][N:52]([C:47]([CH3:46])([C:48](=[O:49])[NH2:50])[CH3:51])[S:53](=[O:54])(=[O:55])[c:56]3[c:57]([N+:62](=[O:63])[O-:64])[cH:58][cH:59][cH:60][cH:61]3)[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]