HRID696702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID57416153

1-(4-Amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine

C14H23N3O

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(N(C)C)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

HCID59452719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d383a454e8c14bbcbe46c62f732774bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:63]([OH:64])([CH3:65])[CH3:66].[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.[Cl:67][CH2:68][Cl:69].[NH2:34][c:35]1[c:36]([O:50][CH3:51])[cH:37][c:38]([N:41]2[CH2:42][CH2:43][CH:44]([N:47]([CH3:48])[CH3:49])[CH2:45][CH2:46]2)[cH:39][cH:40]1.[c:52]1([CH3:53])[cH:54][cH:55][c:56]([S:57]([OH:58])(=[O:59])=[O:60])[cH:61][cH:62]1>>[c:2]1([NH:34][c:35]2[c:36]([O:50][CH3:51])[cH:37][c:38]([N:41]3[CH2:42][CH2:43][CH:44]([N:47]([CH3:48])[CH3:49])[CH2:45][CH2:46]3)[cH:39][cH:40]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