HRID1552610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID323593

4-bromobenzene-1,2-diamine

C6H7BrN2

结构：COc1ccc(CNc2ncnc3c2ccn3C2CC(CN(C)C3CC(CCC(=O)O)C3)C3OC(C)(C)OC32)c(OC)c1

HCID178490994

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncnc3c2ccn3C2CC(CN(C)C3CC(CCC(=O)Nc4ccc(Br)cc4N)C3)C3OC(C)(C)OC32)c(OC)c1

HCID77353305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf3ed5a8b2904f39bc2e7d5cd95f5c00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:53][c:54]1[cH:55][c:56]([NH2:61])[c:57]([NH2:60])[cH:58][cH:59]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH2:31]4)[CH3:37])[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[NH:60][c:57]5[c:56]([NH2:61])[cH:55][c:54]([Br:53])[cH:59][cH:58]5)[CH2:31]4)[CH3:37])[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1