HRID1202009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID59630971

未命名化合物

HCID178418339

Butyllithium

C4H9Li

结构：CCCCC(C)(C)C(=O)NCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC(C=O)C(C)C

HCID178443829

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)(C)C(=O)NCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC(C(C)C)C(O)c1ccc2cnn(CCCOC)c2c1

HCID178443826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df0b7b886a0b4dbf8d2d8ed1a859b30a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:16][CH2:17][CH2:18][CH2:19][Li:20].[CH3:21][C:22]([C:23](=[O:24])[NH:25][CH2:26][CH:27]1[CH:28]([CH2:41][CH:42]([CH:43]([CH3:44])[CH3:45])[CH:46]=[O:47])[N:29]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[C:30]([CH3:32])([CH3:33])[O:31]1)([CH2:48][CH2:49][CH2:50][CH3:51])[CH3:52].[Cl-:53].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][CH2:12][CH2:13][O:14][CH3:15])[c:9]2[cH:10]1.[NH4+:54]>>[c:2]1([CH:46]([CH:42]([CH2:41][CH:28]2[CH:27]([CH2:26][NH:25][C:23]([C:22]([CH3:21])([CH2:48][CH2:49][CH2:50][CH3:51])[CH3:52])=[O:24])[O:31][C:30]([CH3:32])([CH3:33])[N:29]2[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH:43]([CH3:44])[CH3:45])[OH:47])[cH:3][cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][CH2:12][CH2:13][O:14][CH3:15])[c:9]2[cH:10]1