HRID1215913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID15940811

3-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecane

C14H21N3

HCID16450143

2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid

C14H17NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc2C1

HCID59483841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97dd6e5df2da4105a27aa7b4bac44006
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-:20]([F:21])([F:22])([F:23])[F:24].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:17](=[O:18])[OH:19])[cH:14][c:15]2[CH2:16]1.[CH:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH2:77][CH3:78])([CH3:79])[CH3:80].[ClH:53].[ClH:54].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[n:55]1[cH:56][cH:57][c:58]([N:61]2[CH2:62][CH2:63][C:64]3([CH2:65][CH2:66]2)[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]3)[cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:17](=[O:19])[N:69]3[CH2:68][CH2:67][C:64]4([CH2:63][CH2:62][N:61]([c:58]5[cH:57][cH:56][n:55][cH:60][cH:59]5)[CH2:66][CH2:65]4)[CH2:71][CH2:70]3)[cH:14][c:15]2[CH2:16]1