HRID154250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID16462970

5-Bromopyrimidine-2-carboxylic acid

C5H3BrN2O2

结构：CC(C)(C)OC(=O)NC1=NC(C)(c2cc(N)cc(Br)c2)COC1

HCID66665300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1=NC(C)(c2cc(Br)cc(NC(=O)c3ncc(Br)cn3)c2)COC1

HCID66665825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f734c1e1f48442fba32dc0ba3df6fb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][c:25]1[cH:26][n:27][c:28]([C:31](=[O:32])[OH:33])[n:29][cH:30]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[cH:16][c:17]([NH2:22])[cH:18][c:19]([Br:21])[cH:20]2)[CH2:11][O:10][CH2:9]1)=[O:23].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:57][CH2:58][Cl:59].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[cH:16][c:17]([NH:22][C:31]([c:28]3[n:27][cH:26][c:25]([Br:24])[cH:30][n:29]3)=[O:32])[cH:18][c:19]([Br:21])[cH:20]2)[CH2:11][O:10][CH2:9]1)=[O:23]