HRID115037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1ccccc1-2

HCID44264318

Ethyl 9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate

C17H17N3O3

PRODUCTS

生成物

结构：CCOC(=O)c1ncn2c1C1CCCN1C(=S)c1ccccc1-2

HCID178470262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-950ea0e58f5b47f69d18c4b50d4ae4a9
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

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