HRID682101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28123

Tetrahydroborate

H4B-

HCID84717

Phosphonium, tributylhexadecyl-

C28H60P+

结构：CCOC(=O)C1=C(CCC(N=[N+]=[N-])c2ccccc2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

HCID19980423

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(CCC(N)c2ccccc2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

HCID19980476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-096ae98be13f4d96a605bc4b49c6445d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:8].[Br-:47].[CH2:48]([P+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Na+:9].[OH2:77].[c:10]1([CH:16]([CH2:17][CH2:18][C:19]2=[C:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH:23]([c:30]3[cH:31][c:32]([N+:36](=[O:37])[O-:38])[cH:33][cH:34][cH:35]3)[C:22]([C:39](=[O:40])[O:41][CH3:42])=[C:21]([CH3:43])[NH:20]2)[N:44]=[N+:45]=[N-:46])[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([CH:16]([CH2:17][CH2:18][C:19]2=[C:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH:23]([c:30]3[cH:31][c:32]([N+:36](=[O:37])[O-:38])[cH:33][cH:34][cH:35]3)[C:22]([C:39](=[O:40])[O:41][CH3:42])=[C:21]([CH3:43])[NH:20]2)[NH2:44])[cH:11][cH:12][cH:13][cH:14][cH:15]1