HRID1557144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID4742456

未命名化合物

结构：CCC(C)C(C)C(=O)Nc1ccc2c(C)cn3c(=O)c(C(=O)O)cnc3c2c1

HCID13606806

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(C)C(=O)Nc1ccc2c(C)cn3c(=O)c(C(=O)NCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)cnc3c2c1

HCID13606825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-526b15bcecd7405c89e7131ba7f1f3c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([CH3:24])[cH:11][n:12]3[c:13]([c:14]2[cH:15]1)[n:16][cH:17][c:18]([C:21](=[O:22])[OH:23])[c:19]3=[O:20])[CH:25]([CH2:26][CH3:27])[CH3:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:36][C:37]([O:38][CH2:39][CH3:40])=[O:41].[Cl:64][CH2:65][Cl:66].[c:42]1([CH:48]([N:49]2[CH2:50][CH2:51][N:52]([CH2:55][CH2:56][NH2:57])[CH2:53][CH2:54]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([CH3:24])[cH:11][n:12]3[c:13]([c:14]2[cH:15]1)[n:16][cH:17][c:18]([C:21](=[O:22])[NH:57][CH2:56][CH2:55][N:52]1[CH2:51][CH2:50][N:49]([CH:48]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[CH2:54][CH2:53]1)[c:19]3=[O:20])[CH:25]([CH2:26][CH3:27])[CH3:28]