HRID93205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

2 次

结构：N=C(N)c1ccc(OCCCC2CCN(CCCOc3ccc(C(=N)N)cc3)CC2)cc1

HCID9803135

T-2307 free base

C25H35N5O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID9803135

T-2307 free base

C25H35N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc10fecd4dfb43a8b75893b275c03a4b
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

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