HRID700896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID83615

2,5-Xylylacetic acid

C10H12O2

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)Cc3cc(C)ccc3C)CC2)n1

HCID178438969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3937754647724972aeb105178dbad8f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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[c:34]([CH2:40][C:41](=[O:42])[OH:43])[cH:35][c:36]([CH3:39])[cH:37][cH:38]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[Cl:57][CH2:58][Cl:59].[ClH:44].[ClH:56]>>[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:41]([CH2:40][c:34]3[c:33]([CH3:32])[cH:38][cH:37][c:36]([CH3:39])[cH:35]3)=[O:42])[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