HRID1129833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(=O)O

HCID4164897

N-(tert-Butoxycarbonyl)-4-chlorophenylalanine

C14H18ClNO4

结构：COc1n[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(CNC(C)C)c4ccc(Cl)cc4)CC3)c12

HCID68764133

未命名化合物

PRODUCTS

生成物

结构：COc1n[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)NC(=O)OC(C)(C)C)CC3)c12

HCID68735735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af050b7b72f74ed6861ee508ed202031
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-:70]([F:71])([F:72])([F:73])[F:74].[C:50]([CH3:51])([CH3:52])([CH3:53])[O:54][C:55](=[O:56])[NH:57][CH:58]([C:59]([OH:60])=[O:61])[CH2:62][c:63]1[cH:64][cH:65][c:66]([Cl:69])[cH:67][cH:68]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:12][c:13]1[cH:14][cH:15][c:16]([CH:17]([CH2:18][NH:19][CH:45]([CH3:46])[CH3:47])[C:20](=[O:21])[N:22]2[CH2:23][CH2:24][N:25]([c:28]3[c:29]4[c:30]([n:31][cH:32][c:33]3-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[nH:40][n:41][c:42]4[O:43][CH3:44])[CH2:26][CH2:27]2)[cH:48][cH:49]1.[Cl:92][CH2:93][Cl:94].[ClH:10].[ClH:11].[n:75]1([O:76][C:77]([N:78]([CH3:79])[CH3:80])=[N+:81]([CH3:82])[CH3:83])[c:84]2[cH:85][cH:86][cH:87][cH:88][c:89]2[n:90][n:91]1>>[C:20](=[O:21])([N:22]1[CH2:23][CH2:24][N:25]([c:28]2[c:29]3[c:30]([n:31][cH:32][c:33]2-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[nH:40][n:41][c:42]3[O:43][CH3:44])[CH2:26][CH2:27]1)[CH:58]([NH:57][C:55]([O:54][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:56])[CH2:62][c:63]1[cH:64][cH:65][c:66]([Cl:69])[cH:67][cH:68]1