HRID181921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9086

3-Aminopropanol

C3H9NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)O)c(C)sc5c4)c3s2)C1

HCID178493249

未命名化合物

PRODUCTS

生成物

结构：COC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NCCCO)c(C)sc5c4)c3s2)C1

HCID178493247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88469d9445da48fe9cff1351ee511173
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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