HRID306073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76639

Benzyl isocyanate

C8H7NO

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(N)c4)nc4ccccc34)ccc21

HCID66825994

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)NCc5ccccc5)c4)nc4ccccc34)ccc21

HCID59361946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1e4ee31320740e39928e5a61856d5ad
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

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