HRID215337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2776172

6-Isocyanato-2,3-dihydro-1,4-benzodioxine

C9H7NO3

HCID2777760

3-Phenyl-5-piperazino-1,2,4-thiadiazole

C12H14N4S

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc(-c3ccccc3)ns2)CC1

HCID68780082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43c1bcc30a854aa09f3fe9e49c4a654d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[N:25](=[C:26]=[O:27])[c:28]1[cH:29][c:30]2[c:31]([cH:36][cH:37]1)[O:32][CH2:33][CH2:34][O:35]2.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][N:15]([C:26]([NH:25][c:28]4[cH:29][c:30]5[c:31]([cH:36][cH:37]4)[O:32][CH2:33][CH2:34][O:35]5)=[O:27])[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1