HRID2317778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6214

Hexachloroethane

C2Cl6

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8471

Triethylamine

C6H15N

HCID68983

Trimethyl phosphine

C3H9P

HCID61226887

未命名化合物

HCID67336132

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCC(Nc3nc4n(n3)CCCN4c3ccc(F)c(F)c3)CC2)ncn1

HCID67342163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd0caa784d9449c4896bd80c46a97d17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[BH3:65].[CH2:66]([Cl:67])[Cl:68].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][P:36]([CH3:37])[CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][c:47]1[cH:48][c:49]([N:53]2[CH2:54][CH2:55][C:56](=[O:59])[CH2:57][CH2:58]2)[n:50][cH:51][n:52]1.[Cl:19][C:20]([Cl:21])([Cl:22])[C:23]([Cl:24])([Cl:25])[Cl:26].[F:1][c:2]1[cH:3][c:4]([N:9]2[c:10]3[n:11]([n:15][c:16]([NH2:18])[n:17]3)[CH2:12][CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[F:8].[N:27].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH2:74]>>[F:1][c:2]1[cH:3][c:4]([N:9]2[c:10]3[n:11]([n:15][c:16]([NH:18][CH:56]4[CH2:55][CH2:54][N:53]([c:49]5[cH:48][c:47]([CH3:46])[n:52][cH:51][n:50]5)[CH2:58][CH2:57]4)[n:17]3)[CH2:12][CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[F:8]