HRID2135911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8022

Ethyl isocyanate

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID589711

未命名化合物

结构：CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1

HCID5328133

未命名化合物

HCID5462222

Potassium

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl

HCID5328134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-674c57512a9e44f6a3dd127f199db8c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:40]([CH3:41])[N:42]=[C:43]=[O:44].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:30][SiH:31]([CH3:32])[N:33]([CH3:34])[Si:35]([CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[n:15][cH:16]3)[n:27][c:28]2[NH2:29])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[ClH:45].[K:39]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[n:15][cH:16]3)[n:27][c:28]2[NH:29][C:43]([NH:42][CH2:40][CH3:41])=[O:44])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1