HRID1147016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID24386

Thionyl chloride

Cl2OS

HCID67130976

未命名化合物

结构：O=C(O)C(c1c2c(nn1-c1ccc(Cl)cc1)CCCCC2)C1CCCCC1

HCID67387113

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(NC(=O)C(c2c3c(nn2-c2ccc(Cl)cc2)CCCCC3)C2CCCCC2)c(F)c1

HCID53390350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f004b41624ce4688bf2940bc4e82d6a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:46]([O:47][CH3:48])([CH3:49])([CH3:50])[CH3:51].[CH2:28]([CH3:29])[O:30][C:31]([C:32]([CH3:33])([CH3:34])[O:35][c:36]1[cH:37][c:38]([F:43])[c:39]([NH2:42])[cH:40][cH:41]1)=[O:44].[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:6][cH:7]1.[Cl:65][CH2:66][Cl:67].[OH2:45].[S:52]([Cl:53])([Cl:54])=[O:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14](=[O:15])[NH:42][c:39]2[c:38]([F:43])[cH:37][c:36]([O:35][C:32]([C:31]([O:30][CH2:28][CH3:29])=[O:44])([CH3:33])[CH3:34])[cH:41][cH:40]2)[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:6][cH:7]1