Hydrochloric Acid → HCID 58978020, compound

HRID 1149295Notes

Reaction equation

HRID 1149295 reaction equation
[C:54]([OH:55])([CH3:56])([CH3:57])[CH3:58].[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:59][CH:60]([Cl:61])[Cl:62].[ClH:10].[ClH:9].[NH:11]1[CH2:12][CH2:13][CH:14]([N:17]2[CH2:18][CH2:19][CH:20]([n:23]3[c:24](=[O:32])[nH:25][c:26]4[c:27]3[cH:28][cH:29][cH:30][cH:31]4)[CH2:21][CH2:22]2)[CH2:15][CH2:16]1.[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[cH:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][s:5]1>>[cH:1]1[c:2]([C:6](=[O:8])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][CH:20]([n:23]4[c:24](=[O:32])[nH:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[cH:3][cH:4][s:5]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6212ChloroformHCID 6386tert-ButanolHCID 6918Thiophene-3-carboxylic acidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 158395521-[1-(piperidin-4-yl)piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 58978020HCID 58978020, compound

Sources & evidence

ORD record
ord-e4c41325fcc54526a0a7babb2ea3147d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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