HRID1559701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6096

2-Indolinone, 1-methyl-

C9H9NO

结构：O=C1N(Cc2ccccc2)c2ccccc2C12CC2c1ccc2cnn(Cc3ccccc3)c2c1

HCID66730407

未命名化合物

结构：CS(=O)(=O)OCC(OS(C)(=O)=O)c1ccc2cnn(Cc3ccccc3)c2c1

HCID76800943

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C2(CC2c2ccc3cnn(Cc4ccccc4)c3c2)c2ccccc21

HCID76800870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d592075551354a499b8babad77ee50ab
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)[N:8]1[C:9](=[O:35])[C:10]2([CH:11]([c:13]3[cH:14][cH:15][c:16]4[cH:17][n:18][n:19]([CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[c:20]4[cH:21]3)[CH2:12]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21.[CH3:36][S:37]([O:38][CH:39]([c:40]1[cH:41][c:42]2[c:43]([cH:44][n:45][n:46]2[CH2:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55]1)[CH2:56][O:57][S:58]([CH3:59])(=[O:60])=[O:61])(=[O:62])=[O:63].[CH3:64][N:65]1[c:66]2[c:67]([cH:68][cH:69][cH:70][cH:71]2)[CH2:72][C:73]1=[O:74]>>[CH3:1][N:8]1[C:9](=[O:35])[C:10]2([CH:11]([c:13]3[cH:14][cH:15][c:16]4[cH:17][n:18][n:19]([CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[c:20]4[cH:21]3)[CH2:12]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21