HRID1202252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)O)cc1

HCID69152146

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1

HCID69151853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79fe812216354f7da90386829263989a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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