HRID1204592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCN1CCN(c2cc(C=NO)ccc2C2CCC(C(C)(C)C)CC2)CC1

HCID74020552

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCN(c2cc(C#N)ccc2C2CCC(C(C)(C)C)CC2)CC1

HCID11406414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9a5a46753584f06853e9370a2b3e0b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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