HRID205248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID84927

Iodate ion

IO3-

HCID122490

Ethyl 7-bromoheptanoate

C9H17BrO2

结构：Oc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

HCID22031372

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCCCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

HCID22031256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e3682d4f2594bd7a57d95e3b771abee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][C:55](=[O:56])[O:57][CH2:58][CH3:59].[C:65](=[O:66])([O-:67])[O-:68].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]2)[cH:20][n:21]3)[cH:6][cH:7]1.[I+2:60]([O-:61])([O-:62])[O-:63].[K+:69].[K+:70].[Na+:64].[OH2:71]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[cH:23][cH:24][c:25]([O:28][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][C:55](=[O:56])[O:57][CH2:58][CH3:59])[cH:26][cH:27]2)[cH:20][n:21]3)[cH:6][cH:7]1