HRID283051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID15908

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

C8H17N3

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID262764

2-[(Triphenylmethyl)sulfanyl]ethan-1-amine

C21H21NS

结构：CCn1cc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C(=O)O)cc21

HCID59411387

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCCS3)cc21

HCID24880661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e055d0dbb78479c8fa940af0280200a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[S:44][CH2:45][CH2:46][NH2:47].[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([N:14]([S:15](=[O:16])(=[O:17])[c:18]2[s:19][cH:20][cH:21][cH:22]2)[CH3:23])[c:6]2[nH:7][c:8]([C:11]([OH:12])=[O:13])[cH:9][c:10]12.[CH3:109][N:110]([CH3:111])[CH:112]=[O:113].[CH3:114][CH2:115][N:116]([CH2:117][CH3:118])[CH2:119][CH3:120].[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[Cl:105][CH2:106][Cl:107].[ClH:24].[ClH:58].[F:90][C:91]([S:92]([O:93][S:94]([C:95]([F:96])([F:97])[F:98])(=[O:99])=[O:100])(=[O:101])=[O:102])([F:103])[F:104].[OH2:108].[c:70]1([P:71](=[O:72])([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[n:48]1([OH:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([N:14]([S:15](=[O:16])(=[O:17])[c:18]2[s:19][cH:20][cH:21][cH:22]2)[CH3:23])[c:6]2[nH:7][c:8]([C:11]3=[N:47][CH2:46][CH2:45][S:44]3)[cH:9][c:10]12