HRID87276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID2002

Acetyltryptophan

C13H14N2O3

2 次

结构：CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O

HCID2174

6-[(2-Amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C16H19N3O4S

HCID2683

Alkyl pyridinium compound C16 (APyrC C16)

C21H38N+

PRODUCTS

生成物

HCID1148

DL-Tryptophan

C11H12N2O2

HCID2002

Acetyltryptophan

C13H14N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7a43989ccac439bbbffd75e9c231960
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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