HRID91300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID33671

Indole-3-carboxylic acid, 1-benzyl-

C16H13NO2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CN)cc1

HCID21936684

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1

HCID69559742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8a17eea64ed49a0b80eb5b9605185dd
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

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