HRID2123979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID24385

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(c1NCc1ccccc1)CCCC2

HCID57070605

未命名化合物

PRODUCTS

生成物

结构：Nc1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(c1NCc1ccccc1)CCCC2

HCID57018445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-080b31b8a7dd4e8b8d34e91ee3d80aa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:1].[CH2:41]([Cl:42])[Cl:43].[CH3:39][OH:40].[Na+:2].[Ni:45]([Cl:46])[Cl:47].[OH2:44].[c:3]1([CH2:9][N:10]([c:11]2[n:12][c:13]3[c:18]([c:19]([NH:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:20]2[N+:21]([O-:22])=[O:23])[CH2:17][CH2:16][CH2:15][CH2:14]3)[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH2:9][N:10]([c:11]2[n:12][c:13]3[c:18]([c:19]([NH:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:20]2[NH2:21])[CH2:17][CH2:16][CH2:15][CH2:14]3)[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1