HRID1537191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：O=S(=O)(NC(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)CN1CCN(c2ccccc2)CC1)c1cccc2cnccc12

HCID19796262

未命名化合物

PRODUCTS

生成物

结构：CN(C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)CN1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12

HCID19796321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e80540f1d8c4768b356f87aaf315029
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH2:23][CH:24]([CH2:25][N:26]2[CH2:27][CH2:28][N:29]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:30][CH2:31]2)[NH:38][S:39](=[O:40])(=[O:41])[c:42]2[c:43]3[cH:44][cH:45][n:46][cH:47][c:48]3[cH:49][cH:50][cH:51]2)[cH:12][cH:13][c:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:54][I:55].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl-:57].[H-:52].[Na+:53].[Na+:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH2:23][CH:24]([CH2:25][N:26]2[CH2:27][CH2:28][N:29]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:30][CH2:31]2)[N:38]([S:39](=[O:40])(=[O:41])[c:42]2[c:43]3[cH:44][cH:45][n:46][cH:47][c:48]3[cH:49][cH:50][cH:51]2)[CH3:54])[cH:12][cH:13][c:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1