HRID211348

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

HCID6346

Methylene iodide

CH2I2

结构：C=C(C)c1cc(C(F)(F)F)cc(S(=O)(=O)NC2CCCc3c2cnn3CC(=O)OCC)c1

HCID66772609

未命名化合物

HCID178418750

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C2(C)CC2)c1

HCID66772317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a1c1a128cd44f5fb0ea566470caa6f7
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

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