HRID1143654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID70632046

未命名化合物

结构：Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNC(COc2ccccc2)C1

HCID136394900

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)C(COc2ccccc2)C1

HCID136394907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11416af2a1f1440aa76962d8c60f3e2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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