HRID2326339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(Cc1ccccc1)C2

HCID12004393

未命名化合物

PRODUCTS

生成物

结构：COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCNC2

HCID59021578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd941520f47a48b68530815b9fcbbff6
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

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