HRID97651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID736341

4-(Chloromethyl)-2-methylthiazole

C5H6ClNS

结构：CC(C)(C)OC(=O)N1CCCN(c2nc3ccccc3[nH]2)CC1

HCID18464655

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Cn2c(N3CCCN(C(=O)OC(C)(C)C)CC3)nc3ccccc32)cs1

HCID70149483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-917f3b6e8d1248fa8a6b719c4d60b2a9
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

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