HRID173282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

结构：CCn1cc(-c2ccnc3c2cc(-c2cccc(C=O)c2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID71650920

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3c2cc(-c2cccc(CN(C)C)c2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68999036

3-[4-[1-Ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzenemethanamine

C33H30N6O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5211a6684664ff5ad7ad440978ff2d9
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

[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].[CH3:43][NH:44][CH3:45].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][n:12]([CH2:41][CH3:42])[cH:13][c:14]2-[c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:22](-[c:24]2[cH:25][c:26]([CH:30]=[O:31])[cH:27][cH:28][cH:29]2)[cH:23]3)[cH:8][cH:9]1.[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][n:12]([CH2:41][CH3:42])[cH:13][c:14]2-[c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:22](-[c:24]2[cH:25][c:26]([CH2:30][N:44]([CH3:43])[CH3:45])[cH:27][cH:28][cH:29]2)[cH:23]3)[cH:8][cH:9]1