HRID1117178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID57905100

2,6-Dibromo-4-fluoro-3-methylbenzenemethanamine

C8H8Br2FN

结构：COC(=O)c1nc2n(c(=O)c1O)CC1CCC2(N(C)C(=O)C(=O)N(C)C)CC1

HCID57905168

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)cc(Br)c(CNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(N(C)C(=O)C(=O)N(C)C)CC2)c1Br

HCID57905024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dd32c092d2b43fc847ed14969f1c38e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:29][c:30]1[c:31]([CH2:39][NH2:40])[c:32]([Br:38])[cH:33][c:34]([F:37])[c:35]1[CH3:36].[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([C:8]12[c:9]3[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21]([O:23][CH3:22])=[O:24])[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)[CH3:27])=[O:28].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][OH:49].[CH3:51][CH2:52][OH:53].[OH2:50]>>[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([C:8]12[c:9]3[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21](=[O:23])[NH:40][CH2:39][c:31]4[c:30]([Br:29])[c:35]([CH3:36])[c:34]([F:37])[cH:33][c:32]4[Br:38])[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)[CH3:27])=[O:28]