Dichloromethane → Benzo[1,3]dioxole-5-carboxylic acid (7-chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

HRID 1220852

반응식

HRID 1220852 반응식
[CH2:47]([Cl:48])[Cl:49].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[NH2:1][CH2:2][c:3]1[c:4](-[c:21]2[o:22][cH:23][cH:24][n:25]2)[n:5](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:6]2[cH:7][c:8]([Cl:14])[cH:9][cH:10][c:11]2[c:12]1=[O:13].[O:26]1[CH2:27][O:28][c:29]2[c:30]1[cH:31][cH:32][c:33]([C:35](=[O:36])[Cl:37])[cH:34]2>>[NH:1]([CH2:2][c:3]1[c:4](-[c:21]2[o:22][cH:23][cH:24][n:25]2)[n:5](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:6]2[cH:7][c:8]([Cl:14])[cH:9][cH:10][c:11]2[c:12]1=[O:13])[C:35]([c:33]1[cH:32][cH:31][c:30]2[c:29]([cH:34]1)[O:28][CH2:27][O:26]2)=[O:36]

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 27347491,3-Benzodioxole-5-carbonyl chlorideHCID 712083323-aminomethyl-7-chloro-2-oxazol-2-yl-1-phenyl-1H-quinolin-4-one

생성물 1

HCID 71217331Benzo[1,3]dioxole-5-carboxylic acid (7-chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

출처 및 근거

ORD 기록
ord-d5386988b6c740a69c2c1a2634edc2f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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