HRID89295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID134472

N,N-Dimethylsulfamide

C2H8N2O2S

结构：O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(O)Cc1ccccc1-3

HCID58765272

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(O)Cc1ccccc1-3

HCID58765280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed356bc4142a4ac89cedc3f0a0c21efb
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

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