HRID284844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID143542

Ethyl 3-iodobenzoate

C9H9IO2

结构：C#Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2c(F)cc(F)cc2F)c1

HCID86603013

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(C#Cc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)c2)c1

HCID86603014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fad48856aab24aa3842a0a828e62bc36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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