HRID88340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8082

Piperidine

C5H11N

HCID8471

Triethylamine

C6H15N

HCID4154759

Fmoc isothiocyanate

C16H11NO2S

结构：CCCc1ccc(CNC(=O)C2CNCCN2C(=O)OCc2ccccc2)cc1

HCID67408458

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(CNC(=O)C2CN(C(N)=S)CCN2C(=O)OCc2ccccc2)cc1

HCID72362698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e81d93e4fb4f8a8bb115d1f57ebf8c
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

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