HRID181081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID22152287

未命名化合物

HCID22152295

未命名化合物

PRODUCTS

生成物

结构：CN(CCNCc1c(O)c(Br)cc2c1CCC2(C)C)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID195507

3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloropyrazine-2-carboximidic acid

C22H31BrClN7O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab799f74aadf41e3a447d1ffeeea361f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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