HRID2150878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID571846

4-(Trifluoromethoxy)benzylamine

C8H8F3NO

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)C(C(=O)O)C1

HCID178452397

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)C(C(=O)NCc2ccc(OC(F)(F)F)cc2)C1

HCID67411430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cb634e4feaf4bc19f55db47086d2834
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:26](=[O:27])[OH:28])[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH:23]3[CH2:24][CH2:25]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:29].[F:52][C:53]([O:54][c:55]1[cH:56][cH:57][c:58]([CH2:59][NH2:60])[cH:61][cH:62]1)([F:63])[F:64].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:26](=[O:28])[NH:60][CH2:59][c:58]2[cH:57][cH:56][c:55]([O:54][C:53]([F:52])([F:63])[F:64])[cH:62][cH:61]2)[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH:23]3[CH2:24][CH2:25]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1