HRID681769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID260563

6-Bromo-2,4-dimethyl-1,2,4-triazine-3,5(2H,4H)-dione

C5H6BrN3O2

HCID21256599

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(NC2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c(=O)n(C)c1=O

HCID21256596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d467e0cc3e624d029948d66a02574af4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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