HRID101353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78607

1,4′-Bipiperidine

C10H20N2

结构：COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(C(=O)O)cc1)C2

HCID18348551

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc1)C2

HCID18348535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3664f8e8fb4e8abfa747366a141e03
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

[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][O:2][c:3]1[c:4]2[c:8]([c:9]([O:16][CH3:17])[c:10]([O:14][CH3:15])[c:11]1[O:12][CH3:13])[CH2:7][CH:6]([CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1)[CH2:5]2.[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[ClH:43].[N:31]1([CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[OH2:55].[OH2:71].[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][O:2][c:3]1[c:4]2[c:8]([c:9]([O:16][CH3:17])[c:10]([O:14][CH3:15])[c:11]1[O:12][CH3:13])[CH2:7][CH:6]([CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:28])[N:40]3[CH2:39][CH2:38][CH:37]([N:31]4[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]4)[CH2:42][CH2:41]3)[cH:29][cH:30]1)[CH2:5]2.[ClH:43]