HRID1129547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

结构：O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

HCID11880

Benzoic acid, 2,4-dinitro-

C7H4N2O6

HCID85282

4-Methylindole

C9H9N

HCID4681724

2-(1,1-Dimethylethyl)-3-methyl-5-(phenylmethyl)-4-imidazolidinone

C15H22N2O

HCID56616610

4-(Benzyloxy)but-2-enal

C11H12O2

PRODUCTS

生成物

结构：Cc1cccc2[nH]cc(C(CC=O)COCc3ccccc3)c12

HCID23496300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90a1f19defc24eedbb9b8a141dd597b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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