HRID2124804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6386

tert-Butyl alcohol

C4H10O

HCID4574913

未命名化合物

HCID5360545

Sodium

结构：CCOC(=O)CCN(c1nc(SC)ncc1C(=O)OCC)C1CCCCC1

HCID68583496

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CN(C2CCCCC2)c2nc(SC)ncc2C1=O

HCID68583787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-022f5ae129df466eafc116284a4664a4
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

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