HRID1572825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

结构：COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(OC)cc1N

HCID59452685

未命名化合物

结构：O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1

HCID59452969

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(OC)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

HCID59452735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdcaeb332b8a4805af2fac0946c2ade6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:66][OH:67].[CH:62]([OH:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:60].[F:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][N:40]([CH:43]2[CH2:44][CH2:45][N:46]([c:49]3[cH:50][c:51]([O:58][CH3:59])[c:52]([NH2:53])[cH:54][c:55]3[O:56][CH3:57])[CH2:47][CH2:48]2)[CH2:41][CH2:42]1.[NH3:61]>>[c:2]1([NH:53][c:52]2[c:51]([O:58][CH3:59])[cH:50][c:49]([N:46]3[CH2:45][CH2:44][CH:43]([N:40]4[CH2:39][CH2:38][N:37]([CH2:36][CH2:35][F:34])[CH2:42][CH2:41]4)[CH2:48][CH2:47]3)[c:55]([O:56][CH3:57])[cH:54]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1