HRID165081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：CC1OC(C)(C)c2cc(-c3cccn3C(=O)OC(C)(C)C)ccc2N1C(=O)OCC1c2ccccc2-c2ccccc21

HCID18374556

未命名化合物

PRODUCTS

生成物

结构：CC1OC(C)(C)c2cc(-c3ccc(C#N)n3C(=O)OC(C)(C)C)ccc2N1C(=O)OCC1c2ccccc2-c2ccccc21

HCID23435588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d3764f418ee489dbc8038f4c8b8f27a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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