HRID284220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C1CCNCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID59447409

未命名化合物

结构：O=C(O)c1ccc(C(F)(F)F)nc1S(=O)(=O)C1CC1

HCID68487798

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C1CCN(C(=O)c2ccc(C(F)(F)F)nc2S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID25255785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffac82d6b54841d9884e17308ecb2479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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