HRID1553667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14817

Phosphorus pentasulfide

P4S10

结构：O=c1[nH]c(=O)n(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12

HCID13488383

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(=S)c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID14014569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d9be02630e240d1ad3807a1f04ba461
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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