HRID690609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

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

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(OC(C)=O)c1ccc2cnn(CCCOC)c2c1

HCID178443827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e3c5178d4c54a8c89e5c92d7a4c1203
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

[CH3:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH:8]([CH2:21][CH:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([c:27]2[cH:28][cH:29][c:30]3[cH:31][n:32][n:33]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[c:34]3[cH:35]2)[OH:41])[N:9]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:10]([CH3:12])([CH3:13])[O:11]1)([CH2:42][CH2:43][CH2:44][CH3:45])[CH3:46].[CH3:55][C:56](=[O:57])[O:58][C:59]([CH3:60])=[O:61].[Cl-:53].[NH4+:54].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH3:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH:8]([CH2:21][CH:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([c:27]2[cH:28][cH:29][c:30]3[cH:31][n:32][n:33]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[c:34]3[cH:35]2)[O:41][C:56]([CH3:55])=[O:57])[N:9]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:10]([CH3:12])([CH3:13])[O:11]1)([CH2:42][CH2:43][CH2:44][CH3:45])[CH3:46]