HRID1130426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID13614818

3-Chloropropane-1-sulfonamide

C3H8ClNO2S

结构：CN(CCNC(=O)OC(C)(C)C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID178484358

未命名化合物

PRODUCTS

生成物

结构：CN(CCNC(=O)OC(C)(C)C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)CCCCl)cc3n2C1

HCID178484356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ee7f043a0634eee98c31ae2e642e10e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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