HRID1561042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID77614

1-(Aminomethyl)cyclohexan-1-ol

C7H15NO

HCID21877135

未命名化合物

PRODUCTS

生成物

结构：CCSc1cccc(Oc2ncc(F)cc2C(=O)NCC2(O)CCCCC2)c1

HCID58746187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0bc47c4fa1b48858c1862849890fe96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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