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Hydrochloric Acid → Hydrochloric Acid

HRID 141850
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HRID 141850 반응식
[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([CH2:37][n:38]2[cH:39][n:40][cH:41][c:42]2[CH2:43][Cl:44])[cH:45][cH:46]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:30].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:30].[ClH:44].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][N:14]([CH2:43][c:42]2[n:38]([CH2:37][c:36]4[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:46][cH:45]4)[cH:39][n:40][cH:41]2)[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 97953581-(4-Cyanobenzyl)-5-(chloromethyl)imidazoleHCID 212683681-Phenyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one

생성물 2

HCID 313
Hydrochloric Acid
2회
HCID 99603474-[[5-[[4-Oxo-1-phenyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]imidazol-1-yl]methyl]benzonitrile

출처 및 근거

ORD 기록
ord-c732df6d02af45d2a8f000599d501f4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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