HRID206381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID596118

[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H7F3N2O2

结构：CCC(c1ccccc1)N(C)C(=O)c1csc(C2CCNCC2)n1

HCID77296163

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccccc1)N(C)C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

HCID77296414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52b51e27374945c9afab23508153ff0f
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

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