HRID1224106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID61163

4-(2-Hydroxyethyl)morpholine

C6H13NO2

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1

HCID135955104

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OCc3nnc4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)nn34)ccnc2c1

HCID25065134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9e05342717d49bbb2f7aa75ddd2b343
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

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