HRID96372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID527

Propanal

C3H6O

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：CN1CCN(C2=Nc3ccccc3N=C(N3CCN(C)CC3)C2)CC1

HCID11724837

2,4-Bis(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepine

C19H28N6

PRODUCTS

生成物

结构：CCC(O)C1C(N2CCN(C)CC2)=Nc2ccccc2N=C1N1CCN(C)CC1

HCID10023817

1-[2,4-bis (4-methyl-1-piperazinyl)-3H-[1,5]benzodiazepin-3-yl]-1-propanol

C22H34N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-996aa2c8da524b98bd9836c66c76a841
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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