HRID687411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID78607

1,4′-Bipiperidine

C10H20N2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1C

HCID68581057

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1C

HCID59260995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30c799b6d2894057add0f832eb7bd2c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:34]([F:35])([F:36])([F:37])[F:38].[CH2:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH:61]([CH3:62])[CH3:63])[CH3:64].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][C:11]([N:12]2[CH2:13][CH2:14][CH:15]([N:18]3[C:19](=[O:28])[NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[CH2:27]3)[CH2:16][CH2:17]2)=[O:29])[cH:30][cH:31][c:32]1[CH3:33].[N:65]1([CH:71]2[CH2:72][CH2:73][NH:74][CH2:75][CH2:76]2)[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[OH2:77].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]([C:7](=[O:8])[N:74]2[CH2:73][CH2:72][CH:71]([N:65]3[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]3)[CH2:76][CH2:75]2)[CH2:10][C:11]([N:12]2[CH2:13][CH2:14][CH:15]([N:18]3[C:19](=[O:28])[NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[CH2:27]3)[CH2:16][CH2:17]2)=[O:29])[cH:30][cH:31][c:32]1[CH3:33]