HRID681910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID3432358

Methyl 3-isocyanato-2-methylbenzoate

C10H9NO3

HCID66905444

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(NC(=O)N(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c1C

HCID66905640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bd421a855a34cc4bec839058b6887b8
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

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