HRID687881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：Cc1ccc(Nc2ncnc3c2CCN(Cc2ccccc2)C3)cc1-c1cc2ccccc2cn1

HCID58317958

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Nc2ncnc3c2CCNC3)cc1-c1cc2ccccc2cn1

HCID58317880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e2a08b5130d4a4492601fbd1b7ff75d
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:45]([Cl:46])(=[O:47])[O:48][CH:49]([Cl:50])[CH3:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:18][c:19]3[cH:20][c:21](-[c:26]4[n:27][cH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[cH:35]4)[c:22]([CH3:25])[cH:23][cH:24]3)[c:15]2[CH2:16][CH2:17]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:52][CH:53]([Cl:54])[CH3:55]>>[NH:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:18][c:19]3[cH:20][c:21](-[c:26]4[n:27][cH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[cH:35]4)[c:22]([CH3:25])[cH:23][cH:24]3)[c:15]2[CH2:16][CH2:17]1