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Hydrochloric Acid → tert-butyl (1E,4E)-4-((2-hydroxybenzyl)(propyl)carbamoyl)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepin-2-ylcarbamate

HRID 2321155
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HRID 2321155 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:15][c:14]2[c:13]([cH:19][cH:18][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:24][cH:25]3)[cH:16]2)[CH:12]=[C:11]([C:33](=[O:34])[OH:35])[CH2:10]1.[CH2:37]([CH2:38][CH3:39])[NH:40][CH2:41][c:42]1[c:43]([OH:48])[cH:44][cH:45][cH:46][cH:47]1.[ClH:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:15][c:14]2[c:13]([cH:19][cH:18][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:24][cH:25]3)[cH:16]2)[CH:12]=[C:11]([C:33](=[O:35])[N:40]([CH2:37][CH2:38][CH3:39])[CH2:41][c:42]2[c:43]([OH:48])[cH:44][cH:45][cH:46][cH:47]2)[CH2:10]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 129952192-[(Propylamino)methyl]phenolHCID 66960164(1E,4E)-2-(tert-butoxycarbonylamino)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepine-4-carboxylic acid

생성물 1

HCID 86653482tert-butyl (1E,4E)-4-((2-hydroxybenzyl)(propyl)carbamoyl)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepin-2-ylcarbamate

출처 및 근거

ORD 기록
ord-8dce2bafa9ec406dbf39965b451014b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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