HRID289450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10328

Indoline

C8H9N

HCID94429

Triphosgene

C3Cl6O3

结构：COc1cc(CC(=O)Nc2ccc(C(C)CC(=O)OC(C)(C)C)cc2)ccc1N

HCID22994176

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)Nc2ccc(C(C)CC(=O)OC(C)(C)C)cc2)ccc1NC(=O)N1CCc2ccccc21

HCID22994266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0efe8df27584c869330c463983631be
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

[CH2:42]1[CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[NH:50]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[Cl:51][CH2:52][Cl:53].[NH2:13][c:14]1[c:15]([O:40][CH3:41])[cH:16][c:17]([CH2:20][C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH3:39])[cH:28][cH:29]2)[cH:18][cH:19]1>>[C:5](=[O:11])([NH:13][c:14]1[c:15]([O:40][CH3:41])[cH:16][c:17]([CH2:20][C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH3:39])[cH:28][cH:29]2)[cH:18][cH:19]1)[N:50]1[CH2:42][CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]21