HRID205495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCl)CC2)n1

HCID66673104

未命名化合物

HCID178482017

未命名化合物

PRODUCTS

生成物

结构：Cn1nnnc1SCCCN1CCN(c2cc(C3CCC3)nc(C(C)(C)C)n2)CC1

HCID11546480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3d9396155d047efb799e1bcd14070a3
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

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