HRID2147271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID335255

1-(tert-Butoxycarbonyl)-4-hydroxyproline

C10H17NO5

HCID17825054

N-Methylhex-5-en-1-amine

C7H15N

PRODUCTS

生成物

结构：C=CCCCCN(C)C(=O)C1CC(O)CN1C(=O)OC(C)(C)C

HCID66650871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70dbabc22c89418f8a27c9d60ea82393
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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