HRID117917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2759571

3,6,9-trioxadecanoyl chloride

C7H13ClO4

结构：Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID23155080

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOCC(=O)Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID23155113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0977b294f28f4339a7249b0098012f38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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