HRID174375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID268472

未命名化合物

结构：Cc1cc(C[n+]2cnn(CC(O)(c3ccc(F)cc3F)C(C)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc(C)c1O

HCID21844127

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：Cc1cc(C[n+]2cnn(CC(O)(c3ccc(F)cc3F)C(C)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc(C)c1OC(=O)C1CCCN1C(=O)OC(C)(C)C

HCID21844098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-143326b86858466b9db298877da7bd3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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