HRID812473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID3800470

1H-Benzotriazole-1-carboximidamide

C7H7N5

结构：N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCNCC1

HCID22260410

未命名化合物

PRODUCTS

生成物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(C(=N)N)CC1

HCID22260514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b62032d5d90947d9a8eea597cfeee1f0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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