HRID186338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID21219

N-methyl-N,N-dioctyloctan-1-aminium

C25H54N+

结构：CS(=O)(=O)C1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID12590459

未命名化合物

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：N#CC1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID13232652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4106621f535c473f87ac6f1ca103e41e
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:33]([Cl:34])([Cl:35])([Cl:36])[Cl:37].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[CH3:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:1][S:2](=[O:3])(=[O:4])[CH:5]1[CH:6]([NH:10][C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:7](=[O:9])[NH:8]1.[Cl-:38].[K:30][C:31]#[N:32].[OH2:65]>>[CH:5]1([C:31]#[N:32])[CH:6]([NH:10][C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:7](=[O:9])[NH:8]1