HRID137475

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

HCID8028

Tetrahydrofuran

C4H8O

HCID13838

Hexamethyldisilazane

C6H19NSi2

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

结构：CSc1ccc(CC(=O)N(C)C(C)C(O)c2ccccc2)cc1Cl

HCID21897329

未命名化合物

HCID178418339

Butyllithium

C4H9Li

结构：ICC1CCC2(C1)OC(c1ccccc1)C(c1ccccc1)O2

HCID178506577

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(CC2CCC3(C2)OC(c2ccccc2)C(c2ccccc2)O3)C(=O)N(C)C(C)C(O)c2ccccc2)cc1Cl

HCID178503153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1194c1b2450a44a1b1ea1d3da159a588
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

[CH2:10]([Li:11])[CH2:12][CH2:13][CH3:14].[CH3:1][Si:2]([CH3:3])([CH3:4])[NH:5][Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:62][N:63]1[CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[C:69]1=[O:70].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cl-:71].[Cl:15][c:16]1[cH:17][c:18]([CH2:24][C:25](=[O:26])[N:27]([CH3:28])[CH:29]([CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[OH:37])[CH3:38])[cH:19][cH:20][c:21]1[S:22][CH3:23].[I:39][CH2:40][CH:41]1[CH2:42][C:43]2([O:44][CH:45]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[CH:46]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[O:47]2)[CH2:60][CH2:61]1.[NH4+:72].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1>>[Cl:15][c:16]1[cH:17][c:18]([CH:24]([C:25](=[O:26])[N:27]([CH3:28])[CH:29]([CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[OH:37])[CH3:38])[CH2:40][CH:41]2[CH2:42][C:43]3([O:44][CH:45]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[CH:46]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[O:47]3)[CH2:60][CH2:61]2)[cH:19][cH:20][c:21]1[S:22][CH3:23]