HRID105638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18348119

未命名化合物

HCID18348132

未命名化合物

PRODUCTS

生成物

结构：CC(=S)C(CCc1ccccc1)C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

HCID18348082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66bc4e73fab244da96897918152bf1c9
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

[C:32]([CH3:33])(=[S:34])[CH:35]([C:36](=[O:37])[OH:38])[CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH2:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17]([CH:18]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[NH2:30])=[O:31].[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[Cl:77][CH2:78][Cl:79].[ClH:54].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:66].[OH:67][n:68]1[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH2:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17]([CH:18]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[NH:30][C:36]([CH:35]([C:32]([CH3:33])=[S:34])[CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:37])=[O:31]