HRID695558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8022

Ethyl isocyanate

C3H5NO

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

HCID178466487

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)N1CCC(NC(=O)N2C(c3cnc(C(C)(C)C)cc3OCC)=NC(C)(c3ccc(Cl)cc3)C2(C)c2ccc(Cl)cc2)CC1

HCID178465276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06e8561ff126417db1723e36b5681a22
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

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