HRID2154567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

结构：CC(C)(C)OC(=O)N1CCN(c2nc(Br)cnc2N)CC1Cc1ccccc1

HCID72264483

未命名化合物

HCID178434313

未命名化合物

PRODUCTS

生成物

结构：Cc1n[nH]c2ccc(-c3cnc(N)c(N4CCN(C(=O)OC(C)(C)C)C(Cc5ccccc5)C4)n3)cc12

HCID178434252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba68926a37734a07aa7a8b4587420002
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:29][c:30]1[n:31][nH:32][c:33]2[cH:34][cH:35][c:36]([Sn:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][c:38]12.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:28])[n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][c:49]1[P:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][c:63]1[CH3:64]>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:36]2[cH:35][cH:34][c:33]3[nH:32][n:31][c:30]([CH3:29])[c:38]3[cH:37]2)[n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1