HRID148100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2736234

1-(3-dimethylaminopropyl)piperazine

C9H21N3

HCID21905994

4-{4-[4-(Tetrahydro-pyran-4-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-benzoic acid

C22H21N3O5S

PRODUCTS

产物

HCID21906004

[4-(3-Dimethylamino-propyl)piperazin-1-yl]-(4-{4-[4-(tetrahydropyran-4-sulfonyl)phenyl]pyrimidin-2-ylamino}phenyl)methanone

C31H40N6O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d1ba069897714a26afb437e092a55b4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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