HRID307104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID8013

1,3-Propanedithiol

C3H8S2

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)CC(CN=[N+]=[N-])NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1

HCID178444901

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(CN)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1

HCID78010183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cec59f76150041b6a17f1dbd3514d411
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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