HRID119963

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

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

HCID69329

1-(Bromomethyl)-4-chlorobenzene

C7H6BrCl

HCID3280088

未命名化合物

结构：C=CCc1c(OCc2ccc3ccccc3n2)ccc2[nH]c3c(c12)CCCC3CC(=O)OCC

HCID19755383

未命名化合物

PRODUCTS

生成物

结构：C=CCc1c(OCc2ccc3ccccc3n2)ccc2c1c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)OCC)CCC1

HCID19755396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ccf7b6f70d482cafac3bfae17554bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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