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Hydrochloric Acid → HCID 178521872, 화합물

HRID 1216989
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HRID 1216989 반응식
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:33][C:34](=[O:35])[O:36][c:37]1[cH:38][cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44][cH:45]1.[Cl:70][CH2:71][Cl:72].[ClH:8].[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH2:32])[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16].[NH:46]1[CH2:47][CH2:48][CH:49]([c:52]2[c:53](=[O:58])[nH:54][n:55][cH:56][cH:57]2)[CH2:50][CH2:51]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH:32][C:34](=[O:35])[N:46]3[CH2:47][CH2:48][CH:49]([c:52]4[c:53](=[O:58])[nH:54][n:55][cH:56][cH:57]4)[CH2:50][CH2:51]3)[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 923Sodium Ion2회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19660Carbonate IonHCID 821294-Nitrophenyl chloroformate
HCID 57562526
HCID 57562526, 화합물
HCID 691758296-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-amine

생성물 1

HCID 178521872HCID 178521872, 화합물

출처 및 근거

ORD 기록
ord-01307479461e4b9faa03b4f5396aac40
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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