Toluene → HCID 76602499, compound

HRID 672502Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 7396p-Bromobenzenesulfonyl chloride

HCID 9237Dabco

HCID 7653263314-Tert-butoxycarbonylamino-18-hydroxy-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid, ethyl ester

Product 1

HCID 76602499HCID 76602499, compound

Sources & evidence

ORD record: ord-56636e25855d429ebc11fe2223babf24
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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