Dichloromethane → 6-(5-amino-[1,2,4]thiadiazol-3-ylthiomethyl)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

반응식

[Cl:35][CH2:36][Cl:37].[NH2:1][c:2]1[n:3][c:4]([S:7][CH2:8][c:9]2[c:10]([Cl:27])[cH:11][cH:12][c:13]3[c:19]2[CH2:18][CH2:17][N:16]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:15][CH2:14]3)[n:5][s:6]1.[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[NH2:1][c:2]1[n:3][c:4]([S:7][CH2:8][c:9]2[c:10]([Cl:27])[cH:11][cH:12][c:13]3[c:19]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)[n:5][s:6]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 673359726-(5-amino-[1,2,4]thiadiazol-3-ylthiomethyl)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물 1

HCID 598223046-(5-amino-[1,2,4]thiadiazol-3-ylthiomethyl)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록: ord-3b3e2c1c33f04197b3e04a9cecb40d68
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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