HRID2329195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID416960

Methyl 2-amino-3-hydroxypropanoate

C4H9NO3

结构：CSc1ncc2c(n1)N1CCCC1CN(c1cccc(C(=O)O)c1)C2=O

HCID67350554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1COC(c2cccc(N3CC4CCCN4c4nc(SC)ncc4C3=O)c2)=N1

HCID178498946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ac5c8cf399349cc8438faae8c8695b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH3:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][cH:25]1)[C:15]2=[O:16].[CH3:28][O:29][C:30]([CH:31]([NH2:32])[CH2:33][OH:34])=[O:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH:100]([Cl:101])([Cl:102])[Cl:103].[Cl:97][CH2:98][Cl:99].[ClH:27].[ClH:43].[O:85]=[C:86]([O:87][CH2:88][CH3:89])[N:90]=[N:91][C:92]([O:93][CH2:94][CH3:95])=[O:96].[OH2:55].[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:20]3=[N:32][CH:31]([C:30]([O:29][CH3:28])=[O:35])[CH2:33][O:21]3)[cH:23][cH:24][cH:25]1)[C:15]2=[O:16]