HRID1550504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID875218

N,N-diethyl-4-iodobenzamide

C11H14INO

反应SMILES：Cc1ccc(S(=O)N=Cc2cccc3cccnc23)cc1

HCID69140815

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CCN(CC)C(=O)c1ccc(C(NS(=O)c2ccc(C)cc2)c2cccc3cccnc23)cc1

HCID22145456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1acf4eace4e74002b6b8d994e6fa7f82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:15][CH2:16][CH2:17][CH2:18][Li:19].[CH3:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])[N:29]=[CH:30][c:31]2[cH:32][cH:33][cH:34][c:35]3[cH:36][cH:37][cH:38][n:39][c:40]23)[cH:25][cH:26]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl-:41].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([CH2:9][CH3:10])[CH2:11][CH3:12])[cH:13][cH:14]1.[NH4+:42]>>[c:2]1([CH:30]([NH:29][S:27]([c:24]2[cH:23][cH:22][c:21]([CH3:20])[cH:26][cH:25]2)=[O:28])[c:31]2[cH:32][cH:33][cH:34][c:35]3[cH:36][cH:37][cH:38][n:39][c:40]23)[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([CH2:9][CH3:10])[CH2:11][CH3:12])[cH:13][cH:14]1