HRID949039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID81503

Bromomethylcyclopropane

C4H7Br

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(O)ccc4C)CC3)C(=O)C2(C)C)cc1OC

HCID46202067

未命名化合物

结构：COc1ccc(OC)c(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)C(C)(C)C3=O)CC2)c1

HCID46202396

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(OCC5CC5)ccc4C)CC3)C(=O)C2(C)C)cc1OC

HCID67365368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb872619f2a740d1a2de417b073322e8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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