Hydrochloric Acid → HCID 66932980, compound
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:66][OH:67].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[O:27][CH3:28])[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:29]1)=[O:30].[Cl:44][C:45]([O:46][CH:47]([CH3:48])[CH3:49])=[O:50].[ClH:31].[K+:42].[K+:43].[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH-:58].[OH2:65].[n:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[OH:27])[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:29]1)=[O:30]Participants
13
Reactant 12
HCID 313Hydrochloric Acid
HCID 813Potassium Cation2×
HCID 887Methanol
HCID 923Sodium ion
HCID 961Hydroxide
HCID 962Water
HCID 1049Pyridine
HCID 1140Toluene
HCID 7917Isopropyl chloroformate
HCID 8028Tetrahydrofuran
HCID 19660Carbonate Ion
HCID 66933194propan-2-yl N-[7-cyano-4-[(3-methoxy-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamateProduct 1
Sources & evidence
- ORD record
- ord-bd23fa16d80a4303b3e8a694cad42c47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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