HRID87118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：Cc1nn(CC(O)c2ccc(OC(F)(F)F)cc2)c(=O)n1-c1ccc(N2CCN(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)cc1

HCID19032415

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(CC(O)c2ccc(OC(F)(F)F)cc2)c(=O)n1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

HCID19032431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2ef16098c184764a402c9aafd3fa264
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

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