HRID1131098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID53866871

4-(Pyrrolidin-1-yl)but-2-en-1-ol

C8H15NO

结构：COc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1O

HCID135763109

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCC=CCN1CCCC1

HCID69642686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46dd602396bc4ad48887ce66d800507f
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

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