HRID1225274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID4341894

3-(pyrrolidin-1-ylmethyl)piperidine

C10H20N2

结构：O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)O)c(Cl)c1

HCID178523088

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCCC(CN3CCCC3)C2)c(Cl)c1

HCID178523084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aded6a1f9874eff9b28160916f104f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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