Benzene → HCID 69947813, compound

HRID 1234880Notes

Reaction equation

HRID 1234880 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[c:36]1[c:37]([N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[n:38][cH:39][cH:40][cH:41]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][S:27](=[O:28])(=[O:29])[Cl:30].[K+:52].[K+:53].[OH2:60].[OH:1][CH2:2][CH2:3][N:4]1[c:5]2[c:6]([cH:15][cH:16][cH:17][cH:18]2)[CH2:7][CH2:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH2:2]([CH2:3][N:4]1[c:5]2[c:6]([cH:15][cH:16][cH:17][cH:18]2)[CH2:7][CH2:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[N:45]1[CH2:44][CH2:43][N:42]([c:37]2[c:36]([C:34]([O:33][CH2:31][CH3:32])=[O:35])[cH:41][cH:40][cH:39][n:38]2)[CH2:47][CH2:46]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 813Potassium Cation2×HCID 962WaterHCID 8471TriethylamineHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 826961HCID 826961, compoundHCID 11615598ethyl 2-(piperazin-1-yl)nicotinate

Product 1

HCID 69947813HCID 69947813, compound

Sources & evidence

ORD record
ord-804b30a6192345d69e99ce55c78a23cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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