Hydrochloric Acid → Hydrochloric Acid

HRID 181508Notes

Reaction equation

HRID 181508 reaction equation
[CH3:14][NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[c:26]1[CH2:27][CH2:28][CH3:29].[CH3:1][NH:2][CH2:3][c:4]1[n:5]([CH3:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12]1.[CH3:52][N:53]1[CH2:54][c:55]2[cH:56][c:57]([CH:58]=[CH:59][C:60]([OH:61])=[O:62])[cH:63][n:64][c:65]2[NH:66][C:67](=[O:68])[CH2:69]1.[CH3:70][OH:71].[ClH:30].[ClH:51].[O:31]=[C:32]1[NH:33][c:34]2[c:35]([cH:42][c:43]([CH:46]=[CH:47][C:48](=[O:49])[OH:50])[cH:44][n:45]2)[CH2:36][N:37]2[CH2:38][CH2:39][CH2:40][CH:41]12>>[CH3:1][N:2]([CH2:3][c:4]1[n:5]([CH3:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12]1)[C:48]([CH:47]=[CH:46][c:43]1[cH:42][c:35]2[c:34]([n:45][cH:44]1)[NH:33][C:32](=[O:31])[CH:41]1[N:37]([CH2:36]2)[CH2:38][CH2:39][CH2:40]1)=[O:49].[ClH:30]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 11401058methyl((1-methyl-1H-indol-2-yl)methyl)amineHCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 178525337HCID 178525337, compound

Product 2

HCID 313Hydrochloric AcidHCID 178482572HCID 178482572, compound

Sources & evidence

ORD record
ord-fac16076dab446e2bdc63d727f71a3a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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