HRID1550783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：COc1nc(NCCc2ccc(C(F)(F)F)cc2F)cc(-c2cccc(CCN)c2)n1

HCID69070707

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)NCCc1cccc(-c2cc(NCCc3ccc(C(F)(F)F)cc3F)nc(OC)n2)c1

HCID57636003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-346c4213f5e74578a56232b8f2f7a98a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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