HRID1130300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID124656

Isoquinoline-3-carboxylic acid

C10H7NO2

HCID22344413

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)c1cc2ccccc2cn1

HCID23512702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b8782e897ca46319f95cb440fb08065
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

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