HRID1149295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6212

Chloroform

CHCl3

HCID6386

tert-Butyl alcohol

C4H10O

HCID6918

3-Thiophenecarboxylic acid

C5H4O2S

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15839552

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccsc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

HCID58978020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4c41325fcc54526a0a7babb2ea3147d
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

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