HRID2321651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7854

Propionitrile

C3H5N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10514345

未命名化合物

HCID45121902

4,5,6,7-Tetrahydro-1,3-benzothiazol-6-amine

C7H10N2S

HCID66937325

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCCNC1CCc2ncsc2C1)c1cc2ccccc2s1

HCID66937391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb614b8af7c248ff8159e1b83cec3c67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:29]([CH2:30][P+:31]([CH3:32])([CH3:33])[CH3:34])#[N:35].[C:51](#[N:52])[CH2:53][CH3:54].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[I-:28].[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[OH2:55].[OH:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:17](=[O:18])[c:19]1[s:20][c:21]2[c:22]([cH:23]1)[cH:24][cH:25][cH:26][cH:27]2.[s:1]1[cH:2][n:3][c:4]2[c:5]1[CH2:6][CH:7]([NH2:10])[CH2:8][CH2:9]2>>[s:1]1[cH:2][n:3][c:4]2[c:5]1[CH2:6][CH:7]([NH:10][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:17](=[O:18])[c:19]1[s:20][c:21]3[c:22]([cH:23]1)[cH:24][cH:25][cH:26][cH:27]3)[CH2:8][CH2:9]2