HRID1120045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID78607

1,4′-Bipiperidine

C10H20N2

HCID130500

未命名化合物

结构：Nc1c(Cl)cc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID22184605

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F

HCID10372583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c3544ef388b42f3bac4b7a268433148
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:58]([F:59])([F:60])([F:61])[F:62].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[N:46]1([CH:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[NH2:8][c:9]1[c:10]([Cl:45])[cH:11][c:12]([CH2:19][CH:20]([C:21](=[O:22])[OH:23])[NH:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH:30]([N:33]3[C:34](=[O:44])[NH:35][c:36]4[c:37]([cH:40][cH:41][cH:42][cH:43]4)[CH2:38][CH2:39]3)[CH2:31][CH2:32]2)[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[NH2:8][c:9]1[c:10]([Cl:45])[cH:11][c:12]([CH2:19][CH:20]([C:21](=[O:22])[N:55]2[CH2:54][CH2:53][CH:52]([N:46]3[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[CH2:57][CH2:56]2)[NH:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH:30]([N:33]3[C:34](=[O:44])[NH:35][c:36]4[c:37]([cH:40][cH:41][cH:42][cH:43]4)[CH2:38][CH2:39]3)[CH2:31][CH2:32]2)[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18]