HRID2348937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1

HCID178466426

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(N)=O)CC1

HCID178466474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d342cef0ac4c0aa6131df5609d4eb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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