HRID155800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID351418

1,2,3-thiadiazole-4-carboxylic acid

C3H2N2O2S

结构：CNc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891691

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1csnn1)c1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID58739256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d64088dfc8b4c469b9d2d253ec5ed1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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