HRID86296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4689978

(5-chloro-1H-indol-2-yl)methanamine

C9H9ClN2

HCID12068686

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1

HCID59655287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99a4c325de804b0db837153204e33778
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[C:65]([O:66][CH2:67][CH3:68])(=[O:69])[CH3:70].[CH2:62]([OH:63])[CH3:64].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[cH:53][c:54]([CH2:59][NH2:60])[nH:55][c:56]2[cH:57][cH:58]1.[Cl:71].[NH3:61].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:60][CH2:59][c:54]2[cH:53][c:52]3[cH:51][c:50]([Cl:49])[cH:58][cH:57][c:56]3[nH:55]2)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1