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1,2-Dichloroethane → 4-tert-Butyl-N-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl-methyl)-benzamide

HRID 204226
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반응식

HRID 204226 반응식
[C:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[C:33](=[O:34])([OH:35])[O-:36].[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:1][C:2]1([CH3:15])[O:3][CH2:4][c:5]2[c:6]([c:7]([CH3:13])[n:8][cH:9][c:10]2[CH2:11][NH2:12])[O:14]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[Cl:47][CH2:48][Cl:49].[Na+:37]>>[CH3:1][C:2]1([CH3:15])[O:3][CH2:4][c:5]2[c:6]([c:7]([CH3:13])[n:8][cH:9][c:10]2[CH2:11][NH:12][C:24]([c:23]2[cH:22][cH:21][c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:28][cH:27]2)=[O:25])[O:14]1
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참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 74034-tert-Butylbenzoic acidHCID 142844-(Dimethylamino)pyridineHCID 12332441(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanamine

생성물

1
HCID 586368334-tert-Butyl-N-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl-methyl)-benzamide

출처 및 근거

ORD 기록
ord-4ef62a0c3d2247cc8888dba607ae95a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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