HRID145856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID70942

3,3-Dimethylpiperidine

C7H15N

HCID130500

未命名化合物

结构：O=C(O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1

HCID58117493

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCCN(C(=O)c2cc(Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)ncn2)C1

HCID49800515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42a7f5be069543319742da4578a6d243
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

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