HRID90605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)(C)OC(=O)N1CCCC(O)c2cc3c(cc21)OC(F)(F)O3

HCID68679481

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC(N=[N+]=[N-])c2cc3c(cc21)OC(F)(F)O3

HCID90857522

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(N)c2cc3c(cc21)OC(F)(F)O3

HCID68679505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d8881ba50914ff49cd8c3bed5b9a26c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([O:2][C:3]([N:4]1[c:5]2[c:6]([cH:7][c:8]3[c:14]([cH:15]2)[O:13][C:10]([F:11])([F:12])[O:9]3)[CH:16]([OH:17])[CH2:18][CH2:19][CH2:20]1)=[O:21])([CH3:22])([CH3:23])[CH3:24].[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][CH2:46][CH:47]([N:59]=[N+:60]=[N-:61])[c:48]2[cH:49][c:50]3[c:54]([cH:55][c:56]21)[O:53][C:52]([F:57])([F:58])[O:51]3.[CH2:25]1[CH2:26][CH2:27][C:28]2=[N:33][CH2:32][CH2:31][CH2:30][N:29]2[CH2:34][CH2:35]1.[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][OH:70]>>[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][CH2:46][CH:47]([NH2:59])[c:48]2[cH:49][c:50]3[c:54]([cH:55][c:56]21)[O:53][C:52]([F:57])([F:58])[O:51]3