HRID1209438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14855681

Pyrrolidine-1-butyric acid

C8H15NO2

结构：CCCCCCCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCc2ccccc2)CC1

HCID21418116

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCCCCCCCCC(C)c1cc(OC(=O)CCCN2CCCC2)c2c(c1)OC(C)(C)C1=C2CN(CCc2ccccc2)CC1

HCID21418150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04b6d93c7121473e8f09e963e6a78112
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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