HRID314147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID351291

5-Nitroindole-2-carboxylic acid

C9H6N2O4

结构：CCC(C)(C)Nc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID21477627

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1

HCID21477599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae9802a62dac4288b560f72d79a1faa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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